2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NNC(=N2)N

InChI

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