2-azanyl-5-cyano-6-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-6-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl]thio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[[2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]thio]-N-phenyl-nicotinamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)N

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H18N6O3S/c1-27-9-5-8-16(27)20(30)25-17(28)12-31-21-13(11-22)10-15(18(23)26-21)19(29)24-14-6-3-2-4-7-14/h2-10H,12H2,1H3,(H2,23,26)(H,24,29)(H,25,28,30)