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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC(=CC=C3)Br)C#N

InChI

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