3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H16N6O2S/c1-2-3-8-19-13(22)16-17-14(19)23-9-20-12(21)10-6-4-5-7-11(10)15-18-20/h4-7H,2-3,8-9H2,1H3,(H,16,22)