1-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]isoquinoline

Systemtic Name: 1-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]isoquinoline Openeye Name: 1-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]isoquinoline CAS Name: 1-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]isoquinoline IUPAC Name: 1-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]isoquinoline Traditional Name: 1-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]isoquinoline Formula: C17H11BrN4 MolecularWeight: 351.20004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=NC(=NN3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=NC(=NN3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C17H11BrN4/c18-13-6-3-5-12(10-13)16-20-17(22-21-16)15-14-7-2-1-4-11(14)8-9-19-15/h1-10H,(H,20,21,22)