(4R)-3-ethanoyl-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-3-ethanoyl-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-6-[(4-fluorophenyl)methylthio]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-[(4-fluorobenzyl)thio]-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=CC=C2[N+](=O)[O-])C#N)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O3S/c1-13-20(14(2)27)21(17-5-3-4-6-19(17)26(28)29)18(11-24)22(25-13)30-12-15-7-9-16(23)10-8-15/h3-10,20-21H,12H2,1-2H3/t20?,21-/m1/s1