2-(3-azanyl-2,6-dimethyl-5-phenyl-1,4-dihydropyridin-4-yl)-5-(trifluoromethyl)benzenethiol hydrochloride

Systemtic Name: 2-(3-azanyl-2,6-dimethyl-5-phenyl-1,4-dihydropyridin-4-yl)-5-(trifluoromethyl)benzenethiol hydrochloride Openeye Name: 2-(3-amino-2,6-dimethyl-5-phenyl-1,4-dihydropyridin-4-yl)-5-(trifluoromethyl)benzenethiol hydrochloride CAS Name: 2-(3-amino-2,6-dimethyl-5-phenyl-1,4-dihydropyridin-4-yl)-5-(trifluoromethyl)benzenethiol hydrochloride IUPAC Name: 2-(3-amino-2,6-dimethyl-5-phenyl-1,4-dihydropyridin-4-yl)-5-(trifluoromethyl)benzenethiol hydrochloride Traditional Name: 2-(3-amino-2,6-dimethyl-5-phenyl-1,4-dihydropyridin-4-yl)-5-(trifluoromethyl)benzenethiol hydrochloride Formula: C20H20ClF3N2S MolecularWeight: 412.89941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)N)C2=C(C=C(C=C2)C(F)(F)F)S)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=C(C(C(=C(N1)C)N)C2=C(C=C(C=C2)C(F)(F)F)S)C3=CC=CC=C3.Cl

InChI

InChI=1S/C20H19F3N2S.ClH/c1-11-17(13-6-4-3-5-7-13)18(19(24)12(2)25-11)15-9-8-14(10-16(15)26)20(21,22)23;/h3-10,18,25-26H,24H2,1-2H3;1H