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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CO3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CO3)C4(CCCCC4)C#N

InChI

InChI=1S/C22H29N5O2S/c1-26(22(16-23)12-6-3-7-13-22)19(28)15-30-21-25-24-20(18-11-8-14-29-18)27(21)17-9-4-2-5-10-17/h8,11,14,17H,2-7,9-10,12-13,15H2,1H3