2-(4-methanethioylphenyl)-2-(pyridin-3-ylmethyl)octanenitrile

Systemtic Name: 2-(4-methanethioylphenyl)-2-(pyridin-3-ylmethyl)octanenitrile Openeye Name: 2-(4-methanethioylphenyl)-2-(3-pyridylmethyl)octanenitrile CAS Name: 2-(4-methanethioylphenyl)-2-(3-pyridinylmethyl)octanenitrile IUPAC Name: 2-(4-methanethioylphenyl)-2-(pyridin-3-ylmethyl)octanenitrile Traditional Name: 2-(3-pyridylmethyl)-2-(4-thioformylphenyl)caprylonitrile Formula: C21H24N2S MolecularWeight: 336.49366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CN=CC=C1)(C#N)C2=CC=C(C=C2)C=S

Isomeric SMILES

CCCCCCC(CC1=CN=CC=C1)(C#N)C2=CC=C(C=C2)C=S

InChI

InChI=1S/C21H24N2S/c1-2-3-4-5-12-21(17-22,14-19-7-6-13-23-15-19)20-10-8-18(16-24)9-11-20/h6-11,13,15-16H,2-5,12,14H2,1H3