N-butan-2-yl-2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butan-2-yl-2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C18H24ClN5OS MolecularWeight: 393.93406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C18H24ClN5OS/c1-3-13(2)20-16(25)12-26-18-22-21-17(23-9-4-5-10-23)24(18)15-8-6-7-14(19)11-15/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,20,25)