4-(2-bromophenyl)-2-(dimethylamino)-6-methyl-3-phenylsulfanyl-3,4-dihydropyridine-5-carboxylic acid

Systemtic Name: 4-(2-bromophenyl)-2-(dimethylamino)-6-methyl-3-phenylsulfanyl-3,4-dihydropyridine-5-carboxylic acid Openeye Name: 4-(2-bromophenyl)-2-(dimethylamino)-6-methyl-3-phenylsulfanyl-3,4-dihydropyridine-5-carboxylic acid CAS Name: 4-(2-bromophenyl)-2-(dimethylamino)-6-methyl-3-(phenylthio)-3,4-dihydropyridine-5-carboxylic acid IUPAC Name: 4-(2-bromophenyl)-2-(dimethylamino)-6-methyl-3-phenylsulfanyl-3,4-dihydropyridine-5-carboxylic acid Traditional Name: 4-(2-bromophenyl)-2-(dimethylamino)-6-methyl-3-(phenylthio)-3,4-dihydropyridine-5-carboxylic acid Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=N1)N(C)C)SC2=CC=CC=C2)C3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

CC1=C(C(C(C(=N1)N(C)C)SC2=CC=CC=C2)C3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C21H21BrN2O2S/c1-13-17(21(25)26)18(15-11-7-8-12-16(15)22)19(20(23-13)24(2)3)27-14-9-5-4-6-10-14/h4-12,18-19H,1-3H3,(H,25,26)