2-(4-methanethioylphenyl)-3-methyl-butanenitrile

Systemtic Name: 2-(4-methanethioylphenyl)-3-methyl-butanenitrile Openeye Name: 2-(4-methanethioylphenyl)-3-methyl-butanenitrile CAS Name: 2-(4-methanethioylphenyl)-3-methylbutanenitrile IUPAC Name: 2-(4-methanethioylphenyl)-3-methylbutanenitrile Traditional Name: 3-methyl-2-(4-thioformylphenyl)butyronitrile Formula: C12H13NS MolecularWeight: 203.30332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=CC=C(C=C1)C=S

Isomeric SMILES

CC(C)C(C#N)C1=CC=C(C=C1)C=S

InChI

InChI=1S/C12H13NS/c1-9(2)12(7-13)11-5-3-10(8-14)4-6-11/h3-6,8-9,12H,1-2H3