6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-(2-amino-2-oxo-ethyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[(2-amino-2-oxoethyl)thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-4-(2-furanyl)-2-methyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-(2-amino-2-oxoethyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide Formula: C21H16ClF3N4O3S MolecularWeight: 496.88995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H16ClF3N4O3S/c1-10-17(19(31)29-14-7-11(21(23,24)25)4-5-13(14)22)18(15-3-2-6-32-15)12(8-26)20(28-10)33-9-16(27)30/h2-7,18,28H,9H2,1H3,(H2,27,30)(H,29,31)