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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H22ClN5OS/c19-14-5-3-13(4-6-14)11-20-16(25)12-26-18-22-21-17(23-9-1-2-10-23)24(18)15-7-8-15/h3-6,15H,1-2,7-12H2,(H,20,25)