2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C28H29N3OS MolecularWeight: 455.61436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H29N3OS/c1-19-11-9-10-14-24(19)31-26(22-15-17-23(18-16-22)28(3,4)5)29-30-27(31)33-20(2)25(32)21-12-7-6-8-13-21/h6-18,20H,1-5H3