N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-cyano-benzamide

Systemtic Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-cyano-benzamide Openeye Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-cyano-benzamide CAS Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-cyanobenzamide IUPAC Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-cyanobenzamide Traditional Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4-cyano-benzamide Formula: C16H10BrN5O MolecularWeight: 368.1875

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC(=NN2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC(=NN2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H10BrN5O/c17-13-3-1-2-12(8-13)14-19-16(22-21-14)20-15(23)11-6-4-10(9-18)5-7-11/h1-8H,(H2,19,20,21,22,23)