1-(2-bromophenyl)-3-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Openeye Name: 1-(2-bromophenyl)-3-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]urea CAS Name: 1-(2-bromophenyl)-3-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Traditional Name: 1-(2-bromophenyl)-3-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]urea Formula: C16H15BrN6O MolecularWeight: 387.2339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NCCC2=NC(=NN2)C3=CC=NC=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NCCC2=NC(=NN2)C3=CC=NC=C3)Br

InChI

InChI=1S/C16H15BrN6O/c17-12-3-1-2-4-13(12)20-16(24)19-10-7-14-21-15(23-22-14)11-5-8-18-9-6-11/h1-6,8-9H,7,10H2,(H2,19,20,24)(H,21,22,23)