2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-methyl-amino]-N-cyclopropyl-acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2S/c1-26(14-19(28)23-17-12-13-17)20(29)15-30-22-24-21(16-8-4-2-5-9-16)27(25-22)18-10-6-3-7-11-18/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3,(H,23,28)