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

Systemtic Name: diethyl 5-azanyl-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2C)C3CC3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2C)C3CC3)C(=O)OCC)N

InChI

InChI=1S/C17H22N4O4S2/c1-4-24-15(22)11-10(12(27-13(11)18)16(23)25-5-2)8-26-17-20-19-14(21(17)3)9-6-7-9/h9H,4-8,18H2,1-3H3