N-(1-cyanocyclohexyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2OC)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2OC)C3(CCCCC3)C#N

InChI

InChI=1S/C22H27N5O2S/c1-4-14-27-20(17-10-6-7-11-18(17)29-3)24-25-21(27)30-15-19(28)26(2)22(16-23)12-8-5-9-13-22/h4,6-7,10-11H,1,5,8-9,12-15H2,2-3H3