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

Systemtic Name: diethyl 5-azanyl-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)C(=O)OCC)N

InChI

InChI=1S/C22H24N4O4S2/c1-3-29-20(27)16-15(17(32-18(16)23)21(28)30-4-2)12-31-22-25-24-19(13-10-11-13)26(22)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12,23H2,1-2H3