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

Systemtic Name: 2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(4-methylanilino)propyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(p-toluidino)propyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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