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

Systemtic Name: 2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(4-methylanilino)propyl]thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(p-toluidino)propyl]thio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C26H23N3OS2 MolecularWeight: 457.61032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C26H23N3OS2/c1-18-9-11-20(12-10-18)28-16-21(30)17-32-26-23(15-27)22(19-6-3-2-4-7-19)14-24(29-26)25-8-5-13-31-25/h2-14,21,28,30H,16-17H2,1H3