4-(3-cyanophenyl)-2,6-dimethyl-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-cyanophenyl)-5-isopropylsulfanyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-(propan-2-ylthio)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-propan-2-ylsulfanyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-cyanophenyl)-5-(isopropylthio)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)SC(C)C)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)SC(C)C)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C18H20N2O2S/c1-10(2)23-17-12(4)20-11(3)15(18(21)22)16(17)14-7-5-6-13(8-14)9-19/h5-8,10,16,20H,1-4H3,(H,21,22)