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

Systemtic Name: 2-azanyl-5-cyano-6-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[[2-(isoamylamino)-2-keto-ethyl]thio]-N-phenyl-nicotinamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC(=C(C=C1C#N)C(=O)NC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC(=C(C=C1C#N)C(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C20H23N5O2S/c1-13(2)8-9-23-17(26)12-28-20-14(11-21)10-16(18(22)25-20)19(27)24-15-6-4-3-5-7-15/h3-7,10,13H,8-9,12H2,1-2H3,(H2,22,25)(H,23,26)(H,24,27)