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

Systemtic Name: 6-(4-methylphenyl)-2-(2-oxidanyl-3-phenylazanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(3-anilino-2-hydroxy-propyl)sulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(3-anilino-2-hydroxypropyl)thio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-anilino-2-hydroxypropyl)sulfanyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(3-anilino-2-hydroxy-propyl)thio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(CNC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(CNC4=CC=CC=C4)O

InChI

InChI=1S/C28H25N3OS/c1-20-12-14-22(15-13-20)27-16-25(21-8-4-2-5-9-21)26(17-29)28(31-27)33-19-24(32)18-30-23-10-6-3-7-11-23/h2-16,24,30,32H,18-19H2,1H3