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

Systemtic Name: methyl 5-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)Cl)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)Cl)SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C16H14ClN3O3S/c1-10-18-19-16(20(10)12-5-3-4-11(17)8-12)24-9-13-6-7-14(23-13)15(21)22-2/h3-8H,9H2,1-2H3