6-tert-butyl-3-[(3-chlorophenyl)amino]-2H-1,2,4-triazin-5-one

Systemtic Name: 6-tert-butyl-3-[(3-chlorophenyl)amino]-2H-1,2,4-triazin-5-one Openeye Name: 6-tert-butyl-3-(3-chloroanilino)-2H-1,2,4-triazin-5-one CAS Name: 6-tert-butyl-3-(3-chloroanilino)-2H-1,2,4-triazin-5-one IUPAC Name: 6-tert-butyl-3-(3-chloroanilino)-2H-1,2,4-triazin-5-one Traditional Name: 6-tert-butyl-3-(3-chloroanilino)-2H-1,2,4-triazin-5-one Formula: C13H15ClN4O MolecularWeight: 278.7374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=NC1=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)C1=NNC(=NC1=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H15ClN4O/c1-13(2,3)10-11(19)16-12(18-17-10)15-9-6-4-5-8(14)7-9/h4-7H,1-3H3,(H2,15,16,18,19)