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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN4OS/c1-7-5-9(3-4-10(7)13)15-11(18)6-19-12-14-8(2)16-17-12/h3-5H,6H2,1-2H3,(H,15,18)(H,14,16,17)