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

Systemtic Name: ethyl 5-ethyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H19N5O5S2 MolecularWeight: 461.51466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H19N5O5S2/c1-4-12-9-13(18(26)29-5-2)17(30-12)21-16(25)11-6-7-15(14(8-11)24(27)28)31-19-22-20-10-23(19)3/h6-10H,4-5H2,1-3H3,(H,21,25)