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

Systemtic Name: 2-[2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H13N5O3S/c1-8-11(20)19(15)14(17-16-8)23-7-6-18-12(21)9-4-2-3-5-10(9)13(18)22/h2-5H,6-7,15H2,1H3