S-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl] benzenecarbothioate

Systemtic Name: S-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl] benzenecarbothioate Openeye Name: S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) ester IUPAC Name: S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(3,5-diketo-2H-1,2,4-triazin-6-yl) ester Formula: C10H7N3O3S MolecularWeight: 249.24588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=NNC(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=NNC(=O)NC2=O

InChI

InChI=1S/C10H7N3O3S/c14-7-8(12-13-10(16)11-7)17-9(15)6-4-2-1-3-5-6/h1-5H,(H2,11,13,14,16)