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

Systemtic Name: 2-[[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C15H16BrN7OS MolecularWeight: 422.30284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C15H16BrN7OS/c1-8-5-10(3-4-11(8)16)18-13(24)7-25-15-22-21-14(23(15)17)12-6-9(2)19-20-12/h3-6H,7,17H2,1-2H3,(H,18,24)(H,19,20)