dimethyl 5-azanyl-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H16N4O4S3 MolecularWeight: 424.51764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NNC(=N2)CC3=CC=CS3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NNC(=N2)CC3=CC=CS3)C(=O)OC)N

InChI

InChI=1S/C16H16N4O4S3/c1-23-14(21)11-9(12(15(22)24-2)27-13(11)17)7-26-16-18-10(19-20-16)6-8-4-3-5-25-8/h3-5H,6-7,17H2,1-2H3,(H,18,19,20)