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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)acetamide Formula: C10H10BrN5OS MolecularWeight: 328.1883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NNC(=N2)N)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NNC(=N2)N)Br

InChI

InChI=1S/C10H10BrN5OS/c11-6-1-3-7(4-2-6)13-8(17)5-18-10-14-9(12)15-16-10/h1-4H,5H2,(H,13,17)(H3,12,14,15,16)