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

Systemtic Name: N-[(4-bromophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-[(4-bromophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: N-[(4-bromophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(4-bromobenzyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C17H21BrN4OS MolecularWeight: 409.34384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)C(=O)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)C(=O)CSC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C17H21BrN4OS/c1-22(10-12-6-8-14(18)9-7-12)15(23)11-24-17-19-16(20-21-17)13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,19,20,21)