ethyl 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(3-nitro-1,2,4-triazol-1-yl)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-2-29-18(26)16-14(13-7-4-3-5-8-13)11-30-17(16)21-15(25)9-6-10-23-12-20-19(22-23)24(27)28/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,21,25)