6-(4-phenyl-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(4-phenyl-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 6-(3-isopropylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 6-[4-phenyl-3-(propan-2-ylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(4-phenyl-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-(isopropylthio)-4-phenyl-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:

CC(C)SC1=NNC(=C2C=CC=CC2=O)N1C3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=NNC(=C2C=CC=CC2=O)N1C3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-12(2)22-17-19-18-16(14-10-6-7-11-15(14)21)20(17)13-8-4-3-5-9-13/h3-12,18H,1-2H3