N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H31N5OS2 MolecularWeight: 445.64444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C22H31N5OS2/c1-15(2)22(4,14-23)24-20(28)16(3)30-21-26-25-19(13-18-11-8-12-29-18)27(21)17-9-6-5-7-10-17/h8,11-12,15-17H,5-7,9-10,13H2,1-4H3,(H,24,28)