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

Systemtic Name: 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]-N-(2-bromophenyl)ethanamide Openeye Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methyl-amino]-N-(2-bromophenyl)acetamide CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide IUPAC Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(2-bromophenyl)acetamide Traditional Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-methyl-amino]-N-(2-bromophenyl)acetamide Formula: C13H15BrN6O2S MolecularWeight: 399.2662

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H15BrN6O2S/c1-20(11(22)7-23-13-17-12(15)18-19-13)6-10(21)16-9-5-3-2-4-8(9)14/h2-5H,6-7H2,1H3,(H,16,21)(H3,15,17,18,19)