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

Systemtic Name: dimethyl 5-azanyl-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NN=C(N2C3CC3)C4CC4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NN=C(N2C3CC3)C4CC4)C(=O)OC)N

InChI

InChI=1S/C17H20N4O4S2/c1-24-15(22)11-10(12(16(23)25-2)27-13(11)18)7-26-17-20-19-14(8-3-4-8)21(17)9-5-6-9/h8-9H,3-7,18H2,1-2H3