1-(2,6-dimethylphenyl)-3-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]urea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Openeye Name: 1-(2,6-dimethylphenyl)-3-[1-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]urea CAS Name: 1-(2,6-dimethylphenyl)-3-[1-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]urea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]urea Traditional Name: 1-(2,6-dimethylphenyl)-3-[1-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]urea Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC(C)C2=NC(=NN2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC(C)C2=NC(=NN2)C3=CN=CC=C3

InChI

InChI=1S/C18H20N6O/c1-11-6-4-7-12(2)15(11)21-18(25)20-13(3)16-22-17(24-23-16)14-8-5-9-19-10-14/h4-10,13H,1-3H3,(H2,20,21,25)(H,22,23,24)