2-methyl-3-sulfanyl-propanenitrile; nonylbenzene

Systemtic Name: 2-methyl-3-sulfanyl-propanenitrile; nonylbenzene Openeye Name: 2-methyl-3-sulfanyl-propanenitrile; nonylbenzene CAS Name: 3-mercapto-2-methylpropanenitrile; nonylbenzene IUPAC Name: 2-methyl-3-sulfanylpropanenitrile; nonylbenzene Traditional Name: 3-mercapto-2-methyl-propionitrile; nonylbenzene Formula: C19H31NS MolecularWeight: 305.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1.CC(CS)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1.CC(CS)C#N

InChI

InChI=1S/C15H24.C4H7NS/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-4(2-5)3-6/h8,10-11,13-14H,2-7,9,12H2,1H3;4,6H,3H2,1H3