6-(5-phenacylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(5-phenacylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 6-(5-phenacylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 6-[5-(phenacylthio)-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(5-phenacylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 6-[5-(phenacylthio)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=C3C=CC=CC3=O)NN2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=C3C=CC=CC3=O)NN2

InChI

InChI=1S/C16H13N3O2S/c20-13-9-5-4-8-12(13)15-17-16(19-18-15)22-10-14(21)11-6-2-1-3-7-11/h1-9,18H,10H2,(H,17,19)