3-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H11N5O2S/c1-8-6-11(19)15-13(14-8)21-7-18-12(20)9-4-2-3-5-10(9)16-17-18/h2-6H,7H2,1H3,(H,14,15,19)