6-(4-bromophenyl)-2-(2-oxidanyl-3-phenylazanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-(2-oxidanyl-3-phenylazanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(3-anilino-2-hydroxy-propyl)sulfanyl-6-(4-bromophenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(3-anilino-2-hydroxypropyl)thio]-6-(4-bromophenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-anilino-2-hydroxypropyl)sulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(3-anilino-2-hydroxy-propyl)thio]-6-(4-bromophenyl)-4-phenyl-nicotinonitrile Formula: C27H22BrN3OS MolecularWeight: 516.45208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CNC3=CC=CC=C3)O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CNC3=CC=CC=C3)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H22BrN3OS/c28-21-13-11-20(12-14-21)26-15-24(19-7-3-1-4-8-19)25(16-29)27(31-26)33-18-23(32)17-30-22-9-5-2-6-10-22/h1-15,23,30,32H,17-18H2