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

Systemtic Name: propyl 5-aminocarbonyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C17H18N8O6S MolecularWeight: 462.43982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

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