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

Systemtic Name: 2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H11N5O3S/c1-7-10(19)18(14)13(16-15-7)22-6-17-11(20)8-4-2-3-5-9(8)12(17)21/h2-5H,6,14H2,1H3