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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3OC

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N5O2S/c1-4-26-18(16-10-6-7-11-17(16)28-3)24-25-20(26)29-15(2)19(27)23-21(14-22)12-8-5-9-13-21/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3,(H,23,27)