1-[2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-[4-(4-bromophenyl)phenyl]-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-[4-(4-bromophenyl)phenyl]-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C17H11BrN4O MolecularWeight: 367.19944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)CN3C=NC(=N3)C#N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)CN3C=NC(=N3)C#N

InChI

InChI=1S/C17H11BrN4O/c18-15-7-5-13(6-8-15)12-1-3-14(4-2-12)16(23)10-22-11-20-17(9-19)21-22/h1-8,11H,10H2