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

Systemtic Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromobenzyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4O2S/c1-24(13-16-9-5-6-10-17(16)21)18(26)14-28-20-23-22-19(27)25(20)12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,27)