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

Systemtic Name: 3-(4-methylphenyl)-3-(4-methylphenyl)sulfanyl-1-phenyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Openeye Name: 1-phenyl-3-(p-tolyl)-3-(p-tolylsulfanyl)-2-(1,2,4-triazol-1-ylmethyl)propan-1-one CAS Name: 3-(4-methylphenyl)-3-[(4-methylphenyl)thio]-1-phenyl-2-(1,2,4-triazol-1-ylmethyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)-3-(4-methylphenyl)sulfanyl-1-phenyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Traditional Name: 1-phenyl-3-(p-tolyl)-3-(p-tolylthio)-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Formula: C26H25N3OS MolecularWeight: 427.5612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3OS/c1-19-8-12-22(13-9-19)26(31-23-14-10-20(2)11-15-23)24(16-29-18-27-17-28-29)25(30)21-6-4-3-5-7-21/h3-15,17-18,24,26H,16H2,1-2H3