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

Systemtic Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide Openeye Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide CAS Name: 2-[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropylpropanamide IUPAC Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide Traditional Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-propionamide Formula: C18H22ClN5OS MolecularWeight: 391.91818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NN=C(N2C3=CC=CC=C3Cl)N4CCCC4

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=NN=C(N2C3=CC=CC=C3Cl)N4CCCC4

InChI

InChI=1S/C18H22ClN5OS/c1-12(16(25)20-13-8-9-13)26-18-22-21-17(23-10-4-5-11-23)24(18)15-7-3-2-6-14(15)19/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,20,25)