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

Systemtic Name: dimethyl 5-azanyl-3-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-pentyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-amyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCCCCN1C=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C16H22N4O4S2/c1-4-5-6-7-20-9-18-19-16(20)25-8-10-11(14(21)23-2)13(17)26-12(10)15(22)24-3/h9H,4-8,17H2,1-3H3