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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]acetamide Formula: C18H17BrN6O2S MolecularWeight: 461.33558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H17BrN6O2S/c1-11-8-13(19)2-3-14(11)22-15(26)9-21-16(27)10-28-18-23-17(24-25-18)12-4-6-20-7-5-12/h2-8H,9-10H2,1H3,(H,21,27)(H,22,26)(H,23,24,25)