2-butyl-5-methyl-4-phenylazanyl-1,2,4-triazol-3-one

Systemtic Name: 2-butyl-5-methyl-4-phenylazanyl-1,2,4-triazol-3-one Openeye Name: 4-anilino-2-butyl-5-methyl-1,2,4-triazol-3-one CAS Name: 4-anilino-2-butyl-5-methyl-1,2,4-triazol-3-one IUPAC Name: 4-anilino-2-butyl-5-methyl-1,2,4-triazol-3-one Traditional Name: 4-anilino-2-butyl-5-methyl-1,2,4-triazol-3-one Formula: C13H18N4O MolecularWeight: 246.30822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)N(C(=N1)C)NC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)N(C(=N1)C)NC2=CC=CC=C2

InChI

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