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

Systemtic Name: N-[(2-bromophenyl)methyl]-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: N-[(2-bromophenyl)methyl]-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-[(2-bromophenyl)methyl]-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(2-bromobenzyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C19H24BrN5OS MolecularWeight: 450.39576

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C19H24BrN5OS/c1-23(12-14-6-2-3-7-16(14)20)17(26)13-27-19-22-21-18(24-10-4-5-11-24)25(19)15-8-9-15/h2-3,6-7,15H,4-5,8-13H2,1H3