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

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(isobutylcarbamoyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylpropylcarbamoyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(isobutylcarbamoyl)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27N5O2S2 MolecularWeight: 457.61208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CC(C)CNC(=O)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C22H27N5O2S2/c1-16(2)14-23-21(29)24-20(28)15-31-22-26-25-19(13-18-9-6-12-30-18)27(22)11-10-17-7-4-3-5-8-17/h3-9,12,16H,10-11,13-15H2,1-2H3,(H2,23,24,28,29)