3-(4-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-chlorophenyl)-5-[(2,5-dimethoxybenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C17H17ClN4O2S MolecularWeight: 376.86048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN4O2S/c1-23-14-7-8-15(24-2)12(9-14)10-25-17-21-20-16(22(17)19)11-3-5-13(18)6-4-11/h3-9H,10,19H2,1-2H3