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

Systemtic Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C16H20ClN5OS MolecularWeight: 365.8809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)SC1=NN=C(N1C2=CC=CC=C2Cl)N3CCCC3

Isomeric SMILES

CC(C(=O)NC)SC1=NN=C(N1C2=CC=CC=C2Cl)N3CCCC3

InChI

InChI=1S/C16H20ClN5OS/c1-11(14(23)18-2)24-16-20-19-15(21-9-5-6-10-21)22(16)13-8-4-3-7-12(13)17/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,23)