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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3CCCCC3

InChI

InChI=1S/C19H22N4S/c1-2-12-23-18(15-8-4-3-5-9-15)21-22-19(23)24-14-17-11-7-6-10-16(17)13-20/h2,6-7,10-11,15H,1,3-5,8-9,12,14H2