(4S)-2-azanyl-4-(2-chlorophenyl)-6-phenacylsulfanyl-3,4-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (4S)-2-azanyl-4-(2-chlorophenyl)-6-phenacylsulfanyl-3,4-dihydropyridine-3,5-dicarbonitrile Openeye Name: (4S)-2-amino-4-(2-chlorophenyl)-6-phenacylsulfanyl-3,4-dihydropyridine-3,5-dicarbonitrile CAS Name: (4S)-2-amino-4-(2-chlorophenyl)-6-(phenacylthio)-3,4-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (4S)-2-amino-4-(2-chlorophenyl)-6-phenacylsulfanyl-3,4-dihydropyridine-3,5-dicarbonitrile Traditional Name: (4S)-2-amino-4-(2-chlorophenyl)-6-(phenacylthio)-3,4-dihydropyridine-3,5-dicarbonitrile Formula: C21H15ClN4OS MolecularWeight: 406.888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=C(C(C(C(=N2)N)C#N)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=C([C@H](C(C(=N2)N)C#N)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C21H15ClN4OS/c22-17-9-5-4-8-14(17)19-15(10-23)20(25)26-21(16(19)11-24)28-12-18(27)13-6-2-1-3-7-13/h1-9,15,19H,12H2,(H2,25,26)/t15?,19-/m0/s1