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

Systemtic Name: 2-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C14H17BrN6O2S MolecularWeight: 413.29278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NN=C(N2N)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NN=C(N2N)C

InChI

InChI=1S/C14H17BrN6O2S/c1-8-5-10(15)3-4-11(8)18-12(22)6-17-13(23)7-24-14-20-19-9(2)21(14)16/h3-5H,6-7,16H2,1-2H3,(H,17,23)(H,18,22)