(4S)-5-cyano-6-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4S)-5-cyano-6-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-5-cyano-6-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-2-methyl-N-phenyl-4-(4-pyridyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-5-cyano-6-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-2-methyl-N-phenyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-5-cyano-6-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-2-methyl-N-phenyl-4-(4-pyridyl)-3,4-dihydropyridine-3-carboxamide Formula: C27H22FN5O2S MolecularWeight: 499.559283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC=NC=C3)C#N)SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)NC2=CC=CC=C2)C3=CC=NC=C3)C#N)SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H22FN5O2S/c1-17-24(26(35)33-20-5-3-2-4-6-20)25(18-11-13-30-14-12-18)22(15-29)27(31-17)36-16-23(34)32-21-9-7-19(28)8-10-21/h2-14,24-25H,16H2,1H3,(H,32,34)(H,33,35)/t24?,25-/m0/s1