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

Systemtic Name: S-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl] 4-methylbenzenecarbothioate Openeye Name: S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic 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) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(3,5-diketo-2H-1,2,4-triazin-6-yl) ester Formula: C11H9N3O3S MolecularWeight: 263.27246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NNC(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NNC(=O)NC2=O

InChI

InChI=1S/C11H9N3O3S/c1-6-2-4-7(5-3-6)10(16)18-9-8(15)12-11(17)14-13-9/h2-5H,1H3,(H2,12,14,15,17)