(6Z)-6-(3-methylsulfanyl-4-phenethyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-(3-methylsulfanyl-4-phenethyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-(3-methylsulfanyl-4-phenethyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[3-(methylthio)-4-phenethyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-(3-methylsulfanyl-4-phenethyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[3-(methylthio)-4-phenethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C2C=CC=CC2=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CSC1=NN/C(=C\2/C=CC=CC2=O)/N1CCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-22-17-19-18-16(14-9-5-6-10-15(14)21)20(17)12-11-13-7-3-2-4-8-13/h2-10,18H,11-12H2,1H3/b16-14+