N-(4-phenyldiazenylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-phenyldiazenylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylazophenyl)acetamide CAS Name: N-(4-phenyldiazenylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-phenyldiazenylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenylazophenyl)acetamide Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C19H20N6OS/c1-13(2)18-21-19(25-24-18)27-12-17(26)20-14-8-10-16(11-9-14)23-22-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,26)(H,21,24,25)