N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H23N5OS2 MolecularWeight: 389.53812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCCC#N)CC3=CC=CS3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCCC#N)CC3=CC=CS3

InChI

InChI=1S/C18H23N5OS2/c19-9-5-10-20-17(24)13-26-18-22-21-16(12-15-8-4-11-25-15)23(18)14-6-2-1-3-7-14/h4,8,11,14H,1-3,5-7,10,12-13H2,(H,20,24)