(3R,4S)-6-azaniumyl-4-(4-chlorophenyl)-5-cyano-3-(phenylcarbamoyl)-3,4-dihydropyridine-2-thiolate

Systemtic Name: (3R,4S)-6-azaniumyl-4-(4-chlorophenyl)-5-cyano-3-(phenylcarbamoyl)-3,4-dihydropyridine-2-thiolate Openeye Name: (3R,4S)-6-azaniumyl-4-(4-chlorophenyl)-5-cyano-3-(phenylcarbamoyl)-3,4-dihydropyridine-2-thiolate CAS Name: (3R,4S)-6-ammonio-3-[anilino(oxo)methyl]-4-(4-chlorophenyl)-5-cyano-3,4-dihydropyridine-2-thiolate IUPAC Name: (3R,4S)-6-azaniumyl-4-(4-chlorophenyl)-5-cyano-3-(phenylcarbamoyl)-3,4-dihydropyridine-2-thiolate Traditional Name: (3R,4S)-6-ammonio-4-(4-chlorophenyl)-5-cyano-3-(phenylcarbamoyl)-3,4-dihydropyridine-2-thiolate Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2C(C(=C(N=C2[S-])[NH3+])C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)[C@H]2[C@H](C(=C(N=C2[S-])[NH3+])C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15ClN4OS/c20-12-8-6-11(7-9-12)15-14(10-21)17(22)24-19(26)16(15)18(25)23-13-4-2-1-3-5-13/h1-9,15-16H,22H2,(H,23,25)(H,24,26)/t15-,16+/m0/s1