[5-(6-methylsulfanyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazin-2-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-methylsulfanyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazin-2-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(6-methylsulfanyl-3-oxo-5-thioxo-1,2,4-triazin-2-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-[6-(methylthio)-3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(6-methylsulfanyl-3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-[3-keto-6-(methylthio)-5-thioxo-1,2,4-triazin-2-yl]tetrahydrofuran-2-yl]methyl ester Formula: C30H25N3O8S2 MolecularWeight: 619.6648

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=O)NC1=S)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CSC1=NN(C(=O)NC1=S)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H25N3O8S2/c1-43-25-24(42)31-30(37)33(32-25)26-23(41-29(36)20-15-9-4-10-16-20)22(40-28(35)19-13-7-3-8-14-19)21(39-26)17-38-27(34)18-11-5-2-6-12-18/h2-16,21-23,26H,17H2,1H3,(H,31,37,42)