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

Systemtic Name: 4-[3-phenacylsulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-(4-benzyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[3-(phenacylthio)-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(4-benzyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-benzyl-3-(phenacylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S/c27-20-13-11-19(12-14-20)22-24-25-23(26(22)15-17-7-3-1-4-8-17)29-16-21(28)18-9-5-2-6-10-18/h1-14,24H,15-16H2