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

Systemtic Name: 3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCN1C(=O)NN=C1SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H14N6O2S/c1-2-7-18-12(21)15-16-13(18)22-8-19-11(20)9-5-3-4-6-10(9)14-17-19/h3-6H,2,7-8H2,1H3,(H,15,21)