2-butyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one

Systemtic Name: 2-butyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one Openeye Name: 2-butyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one CAS Name: 2-butyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one IUPAC Name: 2-butyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one Traditional Name: 2-butyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one Formula: C13H18N4O MolecularWeight: 246.30822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)N(C(=N1)C2=CC=CC=C2)NC

Isomeric SMILES

CCCCN1C(=O)N(C(=N1)C2=CC=CC=C2)NC

InChI

InChI=1S/C13H18N4O/c1-3-4-10-16-13(18)17(14-2)12(15-16)11-8-6-5-7-9-11/h5-9,14H,3-4,10H2,1-2H3