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

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)propanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)propanamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(2,4-dichlorophenyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)propanamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(2,4-dichlorophenyl)propionamide Formula: C18H21Cl2N5OS MolecularWeight: 426.36324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)SC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)SC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C18H21Cl2N5OS/c1-11(16(26)21-15-7-4-12(19)10-14(15)20)27-18-23-22-17(24-8-2-3-9-24)25(18)13-5-6-13/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,21,26)