3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-5-phenyl-4-(p-tolyl)-1,2,4-triazole Formula: C24H23N3S MolecularWeight: 385.52452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC(=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC(=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3S/c1-17-10-13-22(14-11-17)27-23(20-7-5-4-6-8-20)25-26-24(27)28-16-21-15-18(2)9-12-19(21)3/h4-15H,16H2,1-3H3