N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-[(4-chlorophenyl)thio]acetamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=CC=C(C=C1)Cl)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C/C(=N\NC(=O)CSC1=CC=C(C=C1)Cl)/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16ClN5OS/c1-12(10-23-16-5-3-2-4-15(16)20-22-23)19-21-17(24)11-25-14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,21,24)/b19-12+