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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-yl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-heptan-2-ylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-ylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C22H34N4OS2 MolecularWeight: 434.66156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C22H34N4OS2/c1-3-4-6-10-17(2)23-21(27)16-29-22-25-24-20(15-19-13-9-14-28-19)26(22)18-11-7-5-8-12-18/h9,13-14,17-18H,3-8,10-12,15-16H2,1-2H3,(H,23,27)