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

Systemtic Name: dimethyl 5-azanyl-3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C14H18N4O4S2 MolecularWeight: 370.44712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C14H18N4O4S2/c1-4-5-8-16-14(18-17-8)23-6-7-9(12(19)21-2)11(15)24-10(7)13(20)22-3/h4-6,15H2,1-3H3,(H,16,17,18)