methyl 4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C20H20ClN3O2S MolecularWeight: 401.9097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-3-12-24-18(15-8-10-17(21)11-9-15)22-23-20(24)27-13-14-4-6-16(7-5-14)19(25)26-2/h4-11H,3,12-13H2,1-2H3