6-(4-bromophenyl)-2-(2-dimethylaminoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-(2-dimethylaminoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(2-dimethylaminoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-(2-dimethylaminoethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(2-dimethylaminoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-(2-dimethylaminoethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C17H15BrF3N3S MolecularWeight: 430.28531

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C(F)(F)F)C#N

Isomeric SMILES

CN(C)CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C(F)(F)F)C#N

InChI

InChI=1S/C17H15BrF3N3S/c1-24(2)7-8-25-16-13(10-22)14(17(19,20)21)9-15(23-16)11-3-5-12(18)6-4-11/h3-6,9H,7-8H2,1-2H3