dimethyl 5-azanyl-3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H20N4O4S2 MolecularWeight: 432.5165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4S2/c1-23-13(9-11-7-5-4-6-8-11)21-22-19(23)28-10-12-14(17(24)26-2)16(20)29-15(12)18(25)27-3/h4-8H,9-10,20H2,1-3H3