N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-(2-furylmethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-(2-furfuryl)acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(CCC#N)CC2=CC=CO2)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(CCC#N)CC2=CC=CO2)C3CCCCC3

InChI

InChI=1S/C21H27N5O2S/c1-2-12-26-20(17-8-4-3-5-9-17)23-24-21(26)29-16-19(27)25(13-7-11-22)15-18-10-6-14-28-18/h2,6,10,14,17H,1,3-5,7-9,12-13,15-16H2