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

Systemtic Name: 3-methyl-4-(3-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-methyl-4-(m-tolyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-methyl-4-(3-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-methyl-4-(3-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-methyl-5-[(3-methylbenzyl)thio]-4-(m-tolyl)-1,2,4-triazole Formula: C18H19N3S MolecularWeight: 309.42856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=CC(=C3)C)C

InChI

InChI=1S/C18H19N3S/c1-13-6-4-8-16(10-13)12-22-18-20-19-15(3)21(18)17-9-5-7-14(2)11-17/h4-11H,12H2,1-3H3