3-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C12H11N7O2S MolecularWeight: 317.32644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H11N7O2S/c1-7-10(20)19(13)12(16-14-7)22-6-18-11(21)8-4-2-3-5-9(8)15-17-18/h2-5H,6,13H2,1H3