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

Systemtic Name: 1-(3-ethanoylphenyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]urea Openeye Name: 1-(3-acetylphenyl)-3-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methyl]urea CAS Name: 1-(3-acetylphenyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methyl]urea Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=NC(=NN2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=NC(=NN2)C3=CC=NC=C3

InChI

InChI=1S/C17H16N6O2/c1-11(24)13-3-2-4-14(9-13)20-17(25)19-10-15-21-16(23-22-15)12-5-7-18-8-6-12/h2-9H,10H2,1H3,(H2,19,20,25)(H,21,22,23)