2-(2-methylphenyl)-2-[2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethylamino]ethanenitrile

Systemtic Name: 2-(2-methylphenyl)-2-[2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethylamino]ethanenitrile Openeye Name: 2-(o-tolyl)-2-[2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethylamino]acetonitrile CAS Name: 2-[2-(5-mercapto-1-cyclopenta-1,3-dienyl)ethylamino]-2-(2-methylphenyl)acetonitrile IUPAC Name: 2-(2-methylphenyl)-2-[2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethylamino]acetonitrile Traditional Name: 2-[2-(5-mercaptocyclopenta-1,3-dien-1-yl)ethylamino]-2-(o-tolyl)acetonitrile Formula: C16H18N2S MolecularWeight: 270.39252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)NCCC2=CC=CC2S

Isomeric SMILES

CC1=CC=CC=C1C(C#N)NCCC2=CC=CC2S

InChI

InChI=1S/C16H18N2S/c1-12-5-2-3-7-14(12)15(11-17)18-10-9-13-6-4-8-16(13)19/h2-8,15-16,18-19H,9-10H2,1H3