N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3(CCCCC3)C#N)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3(CCCCC3)C#N)C4=CC=CO4

InChI

InChI=1S/C21H27N5O2S/c22-15-21(11-5-2-6-12-21)23-18(27)14-29-20-25-24-19(17-10-7-13-28-17)26(20)16-8-3-1-4-9-16/h7,10,13,16H,1-6,8-9,11-12,14H2,(H,23,27)