6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-pyridine-3-carboxamide Openeye Name: 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-pyridine-3-carboxamide CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-3-pyridinecarboxamide IUPAC Name: 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenylpyridine-3-carboxamide Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-nicotinamide Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H17N5O4S/c1-13-19(21(29)26-15-7-3-2-4-8-15)20(14-6-5-9-16(10-14)27(30)31)17(11-23)22(25-13)32-12-18(24)28/h2-10H,12H2,1H3,(H2,24,28)(H,26,29)