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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C)C2(CCCCC2)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C)C2(CCCCC2)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N5O2S/c1-4-26-19(16-8-10-17(28-3)11-9-16)23-24-20(26)29-14-18(27)25(2)21(15-22)12-6-5-7-13-21/h8-11H,4-7,12-14H2,1-3H3