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

Systemtic Name: 2-[3-[(4-chlorophenyl)amino]-2-oxidanyl-propyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-chloroanilino)-2-hydroxy-propyl]sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[3-(4-chloroanilino)-2-hydroxypropyl]thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chloroanilino)-2-hydroxy-propyl]thio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C25H20ClN3OS2 MolecularWeight: 478.0288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CNC3=CC=C(C=C3)Cl)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CNC3=CC=C(C=C3)Cl)O)C4=CC=CS4

InChI

InChI=1S/C25H20ClN3OS2/c26-18-8-10-19(11-9-18)28-15-20(30)16-32-25-22(14-27)21(17-5-2-1-3-6-17)13-23(29-25)24-7-4-12-31-24/h1-13,20,28,30H,15-16H2