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

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)acetamide Formula: C11H12BrN5OS MolecularWeight: 342.21488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C11H12BrN5OS/c1-7-15-16-11(17(7)13)19-6-10(18)14-9-4-2-8(12)3-5-9/h2-5H,6,13H2,1H3,(H,14,18)