2-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c27-19-13-11-16(12-14-19)21-24-25-22(26(21)18-9-5-2-6-10-18)29-15-20(28)23-17-7-3-1-4-8-17/h1-14,24H,15H2,(H,23,28)