3-(2-chlorophenyl)-4-cyclopentyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(2,5-dimethylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(2,5-dimethylbenzyl)thio]-1,2,4-triazole Formula: C22H24ClN3S MolecularWeight: 397.96406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3CCCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3CCCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3S/c1-15-11-12-16(2)17(13-15)14-27-22-25-24-21(19-9-5-6-10-20(19)23)26(22)18-7-3-4-8-18/h5-6,9-13,18H,3-4,7-8,14H2,1-2H3