3-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Openeye Name: 1-phenyl-3-phenylsulfanyl-3-(p-tolyl)-2-(1,2,4-triazol-1-ylmethyl)propan-1-one CAS Name: 3-(4-methylphenyl)-1-phenyl-3-(phenylthio)-2-(1,2,4-triazol-1-ylmethyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-phenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Traditional Name: 1-phenyl-3-(phenylthio)-3-(p-tolyl)-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)C(C(CN2C=NC=N2)C(=O)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C(CN2C=NC=N2)C(=O)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-19-12-14-21(15-13-19)25(30-22-10-6-3-7-11-22)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