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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-cyclohexyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-cyclohexyl-4-phenyl-1,2,4-triazole Formula: C21H22ClN3S MolecularWeight: 383.93748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3S/c22-18-13-11-16(12-14-18)15-26-21-24-23-20(17-7-3-1-4-8-17)25(21)19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15H2