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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3(CCCCC3)C#N)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3(CCCCC3)C#N)C4=CC=CS4

InChI

InChI=1S/C22H23N5O2S2/c1-29-17-9-4-3-8-16(17)27-20(18-10-7-13-30-18)25-26-21(27)31-14-19(28)24-22(15-23)11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)