4-[(4-methylphenyl)methylamino]-3-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[(4-methylphenyl)methylamino]-3-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-phenyl-4-(p-tolylmethylamino)-1H-1,2,4-triazol-5-one CAS Name: 4-[(4-methylphenyl)methylamino]-3-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 4-[(4-methylphenyl)methylamino]-3-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 4-[(4-methylbenzyl)amino]-3-phenyl-1H-1,2,4-triazol-5-one Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNN2C(=NNC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNN2C(=NNC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O/c1-12-7-9-13(10-8-12)11-17-20-15(18-19-16(20)21)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,19,21)