3-(4-methylphenyl)sulfanyl-1,3-diphenyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1,3-diphenyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Openeye Name: 1,3-diphenyl-3-(p-tolylsulfanyl)-2-(1,2,4-triazol-1-ylmethyl)propan-1-one CAS Name: 3-[(4-methylphenyl)thio]-1,3-diphenyl-2-(1,2,4-triazol-1-ylmethyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfanyl-1,3-diphenyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Traditional Name: 1,3-diphenyl-3-(p-tolylthio)-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(CN3C=NC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(CN3C=NC=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-19-12-14-22(15-13-19)30-25(21-10-6-3-7-11-21)23(16-28-18-26-17-27-28)24(29)20-8-4-2-5-9-20/h2-15,17-18,23,25H,16H2,1H3