propan-2-yl 5-aminocarbonyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C17H18N8O6S MolecularWeight: 462.43982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C17H18N8O6S/c1-8(2)31-16(28)11-9(3)12(13(18)26)32-15(11)20-14(27)10-4-5-23(21-10)7-24-6-19-17(22-24)25(29)30/h4-6,8H,7H2,1-3H3,(H2,18,26)(H,20,27)