6-(4-bromophenyl)-2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[[2-hydroxy-3-(4-methylanilino)propyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[[2-hydroxy-3-(p-toluidino)propyl]thio]-4-phenyl-nicotinonitrile Formula: C28H24BrN3OS MolecularWeight: 530.47866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC(CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C28H24BrN3OS/c1-19-7-13-23(14-8-19)31-17-24(33)18-34-28-26(16-30)25(20-5-3-2-4-6-20)15-27(32-28)21-9-11-22(29)12-10-21/h2-15,24,31,33H,17-18H2,1H3