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

Systemtic Name: 3-cyclohexyl-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclohexyl-5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-cyclohexyl-4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-cyclohexyl-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclohexyl-5-[(3-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazole Formula: C23H27N3S MolecularWeight: 377.54558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C4CCCCC4

InChI

InChI=1S/C23H27N3S/c1-17-11-13-21(14-12-17)26-22(20-9-4-3-5-10-20)24-25-23(26)27-16-19-8-6-7-18(2)15-19/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3