(Z)-3-[(4-Amino-1,2,4-Triazol-3-Yl)Sulfanyl]-1-Phenylhept-2-En-1-One
[CAS# 126335-02-2]

Identification

• Name: (Z)-3-[(4-Amino-1,2,4-Triazol-3-Yl)Sulfanyl]-1-Phenylhept-2-En-1-One
• Synonyms: (Z)-3-[(4-Amino-1,2,4-Triazol-3-Yl)Sulfanyl]-1-Phenyl-Hept-2-En-1-One; (Z)-3-[(4-Amino-1,2,4-Triazol-3-Yl)Thio]-1-Phenylhept-2-En-1-One; (Z)-3-[(4-Amino-1,2,4-Triazol-3-Yl)Thio]-1-Phenyl-Hept-2-En-1-One
• Molecular Formula: C₁₅H₁₈N₄OS
• Molecular Weight: 302.39
• CAS Registry Number: 126335-02-2
• SMILES: C1=CC=CC=C1C(\C=C(\CCCC)SC2=NN=C[N]2N)=O
• InChI: 1S/C15H18N4OS/c1-2-3-9-13(21-15-18-17-11-19(15)16)10-14(20)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9,16H2,1H3/b13-10-
• InChIKey: RJNUFSZVSJUMSN-RAXLEYEMSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 497.677°C at 760 mmHg (Cal.)
• Flash point: 254.786°C (Cal.)