2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC#N)C2CCCCC2

Isomeric SMILES

C=CCN1C(=NN=C1SCC#N)C2CCCCC2

InChI

InChI=1S/C13H18N4S/c1-2-9-17-12(11-6-4-3-5-7-11)15-16-13(17)18-10-8-14/h2,11H,1,3-7,9-10H2