6-[4-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-methylsulfanyl-4-(p-tolyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-methylphenyl)-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-methylphenyl)-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-(methylthio)-4-(p-tolyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H15N3OS MolecularWeight: 297.3748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SC

InChI

InChI=1S/C16H15N3OS/c1-11-7-9-12(10-8-11)19-15(17-18-16(19)21-2)13-5-3-4-6-14(13)20/h3-10,17H,1-2H3