[2-methoxy-4-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] 4-methoxybenzoate

Systemtic Name: [2-methoxy-4-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] 4-methoxybenzoate Openeye Name: [2-methoxy-4-[(6-methyl-5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-methoxy-4-[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(5-keto-6-methyl-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC1=NNC(=S)N(C1=O)N=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C20H18N4O5S/c1-12-18(25)24(20(30)23-22-12)21-11-13-4-9-16(17(10-13)28-3)29-19(26)14-5-7-15(27-2)8-6-14/h4-11H,1-3H3,(H,23,30)