4-[4-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-(3-benzylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[4-phenyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3-benzylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-(benzylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3OS/c25-19-13-11-17(12-14-19)20-22-23-21(24(20)18-9-5-2-6-10-18)26-15-16-7-3-1-4-8-16/h1-14,22H,15H2