methyl 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C15H12ClN3O2S2 MolecularWeight: 365.85768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CS3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CS3

InChI

InChI=1S/C15H12ClN3O2S2/c1-21-13(20)9-23-15-18-17-14(12-3-2-8-22-12)19(15)11-6-4-10(16)5-7-11/h2-8H,9H2,1H3