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

Systemtic Name: 4-(4-bromophenyl)-2-(2-dimethylaminoethylsulfanyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-bromophenyl)-2-(2-dimethylaminoethylsulfanyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-bromophenyl)-2-(2-dimethylaminoethylthio)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-bromophenyl)-2-(2-dimethylaminoethylsulfanyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-bromophenyl)-2-(2-dimethylaminoethylthio)-6-phenyl-nicotinonitrile Formula: C22H20BrN3S MolecularWeight: 438.3833

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CN(C)CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C22H20BrN3S/c1-26(2)12-13-27-22-20(15-24)19(16-8-10-18(23)11-9-16)14-21(25-22)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3