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

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-bromophenyl)acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-bromophenyl)acetamide Formula: C12H11BrN6OS MolecularWeight: 367.22434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CN2C(=NN=C2SCC#N)N)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CN2C(=NN=C2SCC#N)N)Br

InChI

InChI=1S/C12H11BrN6OS/c13-8-1-3-9(4-2-8)16-10(20)7-19-11(15)17-18-12(19)21-6-5-14/h1-4H,6-7H2,(H2,15,17)(H,16,20)