1,2-bis(4-methylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1,2-bis(4-methylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2-bis(p-tolyl)ethanone CAS Name: 1,2-bis(4-methylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1,2-bis(4-methylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1,2-bis(p-tolyl)ethanone Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NN=C(N3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NN=C(N3C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3OS/c1-17-9-13-20(14-10-17)23(29)24(21-15-11-18(2)12-16-21)30-25-27-26-19(3)28(25)22-7-5-4-6-8-22/h4-16,24H,1-3H3