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

Systemtic Name: 2-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NN=C(N1N)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H13N5O2S/c1-8-15-16-13(18(8)14)21-7-6-17-11(19)9-4-2-3-5-10(9)12(17)20/h2-5H,6-7,14H2,1H3