N-(4-cyclohexylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(4-cyclohexylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-cyclohexylphenyl)-2-(4-quinolylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(4-cyclohexylphenyl)-2-(4-quinolinylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-cyclohexylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-cyclohexylphenyl)-2-(4-quinolylmethylthio)nicotinamide Formula: C28H27N3OS MolecularWeight: 453.59848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC5=CC=CC=C45

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C28H27N3OS/c32-27(31-23-14-12-21(13-15-23)20-7-2-1-3-8-20)25-10-6-17-30-28(25)33-19-22-16-18-29-26-11-5-4-9-24(22)26/h4-6,9-18,20H,1-3,7-8,19H2,(H,31,32)