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

Systemtic Name: 6-[3-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[(2,4-dimethylphenyl)methylthio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-[(2,4-dimethylbenzyl)thio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3OS/c1-16-12-13-18(17(2)14-16)15-28-23-25-24-22(20-10-6-7-11-21(20)27)26(23)19-8-4-3-5-9-19/h3-14,24H,15H2,1-2H3