N-(4-bromanyl-2-chloranyl-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H19BrClN5OS MolecularWeight: 456.78766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C17H19BrClN5OS/c18-11-3-6-14(13(19)9-11)20-15(25)10-26-17-22-21-16(23-7-1-2-8-23)24(17)12-4-5-12/h3,6,9,12H,1-2,4-5,7-8,10H2,(H,20,25)