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

Systemtic Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C18H24ClN5OS MolecularWeight: 393.93406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN5OS/c1-3-10-20-16(25)13(2)26-18-22-21-17(23-11-6-7-12-23)24(18)15-9-5-4-8-14(15)19/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,20,25)