S-methyl 2-[(4-methoxy-6-methyl-1H-1,2,3-triazin-2-yl)carbamoylsulfamoyl]benzenecarbothioate

Systemtic Name: S-methyl 2-[(4-methoxy-6-methyl-1H-1,2,3-triazin-2-yl)carbamoylsulfamoyl]benzenecarbothioate Openeye Name: S-methyl 2-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]benzenecarbothioate CAS Name: 2-[[[(4-methoxy-6-methyl-1H-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 2-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]benzenecarbothioate Traditional Name: 2-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]thiobenzoic acid S-methyl ester Formula: C14H17N5O5S2 MolecularWeight: 399.44528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN(N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)SC)OC

Isomeric SMILES

CC1=CC(=NN(N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)SC)OC

InChI

InChI=1S/C14H17N5O5S2/c1-9-8-12(24-2)16-19(15-9)17-14(21)18-26(22,23)11-7-5-4-6-10(11)13(20)25-3/h4-8,15H,1-3H3,(H2,17,18,21)