(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl 6-sulfanylidenecyclohexa-1,3-diene-1-carboxylate

Systemtic Name: (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl 6-sulfanylidenecyclohexa-1,3-diene-1-carboxylate Openeye Name: (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl 6-thioxocyclohexa-1,3-diene-1-carboxylate CAS Name: 6-sulfanylidene-1-cyclohexa-1,3-dienecarboxylic acid [[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl ester IUPAC Name: (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl 6-sulfanylidenecyclohexa-1,3-diene-1-carboxylate Traditional Name: 6-thioxocyclohexa-1,3-diene-1-carboxylic acid (4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl ester Formula: C13H13N5O6S2 MolecularWeight: 399.40222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)OC(=O)C2=CC=CCC2=S

Isomeric SMILES

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)OC(=O)C2=CC=CCC2=S

InChI

InChI=1S/C13H13N5O6S2/c1-7-14-11(17-13(15-7)23-2)16-12(20)18-26(21,22)24-10(19)8-5-3-4-6-9(8)25/h3-5H,6H2,1-2H3,(H2,14,15,16,17,18,20)