5-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: 5-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide CAS Name: 5-methyl-4-nitro-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide Traditional Name: 5-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4S/c1-10(22-9-18-8-19-22)16(24)20-12-3-5-13(6-4-12)21-17(25)15-7-14(23(26)27)11(2)28-15/h3-10H,1-2H3,(H,20,24)(H,21,25)