4-(4-bromophenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(4-bromophenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-bromophenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(4-bromophenyl)-3-[(1-methyl-2-pyrrolyl)methyl]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-bromophenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-bromophenyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazol-5-one Formula: C14H13BrN4O MolecularWeight: 333.18322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NNC(=O)N2C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=CC=C1CC2=NNC(=O)N2C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H13BrN4O/c1-18-8-2-3-12(18)9-13-16-17-14(20)19(13)11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,17,20)