diethyl 5-azanyl-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NNC(=N2)C3CCCC3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NNC(=N2)C3CCCC3)C(=O)OCC)N

InChI

InChI=1S/C18H24N4O4S2/c1-3-25-16(23)12-11(13(28-14(12)19)17(24)26-4-2)9-27-18-20-15(21-22-18)10-7-5-6-8-10/h10H,3-9,19H2,1-2H3,(H,20,21,22)