2-[4-(4-bromophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[4-(4-bromophenyl)-5-keto-1,2,4-triazol-1-yl]acetonitrile Formula: C10H7BrN4O MolecularWeight: 279.09278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NN(C2=O)CC#N)Br

Isomeric SMILES

C1=CC(=CC=C1N2C=NN(C2=O)CC#N)Br

InChI

InChI=1S/C10H7BrN4O/c11-8-1-3-9(4-2-8)14-7-13-15(6-5-12)10(14)16/h1-4,7H,6H2