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

Systemtic Name: methyl 5-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C14H13N7O5S MolecularWeight: 391.36192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H13N7O5S/c1-8-5-9(13(23)26-2)12(27-8)16-11(22)10-3-4-19(17-10)7-20-6-15-14(18-20)21(24)25/h3-6H,7H2,1-2H3,(H,16,22)