2-azanyl-5-cyano-6-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-6-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]thio]-N-phenyl-nicotinamide Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)CSC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)CSC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C24H23N5O3S/c1-32-20-10-6-5-7-16(20)11-12-27-21(30)15-33-24-17(14-25)13-19(22(26)29-24)23(31)28-18-8-3-2-4-9-18/h2-10,13H,11-12,15H2,1H3,(H2,26,29)(H,27,30)(H,28,31)