1-[2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]phenyl]ethyl thiocyanate

Systemtic Name: 1-[2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]phenyl]ethyl thiocyanate Openeye Name: 1-[2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]phenyl]ethyl thiocyanate CAS Name: thiocyanic acid 1-[2-[[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]phenyl]ethyl ester IUPAC Name: 1-[2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]phenyl]ethyl thiocyanate Traditional Name: thiocyanic acid 1-[2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]phenyl]ethyl ester Formula: C16H17N5O4S2 MolecularWeight: 407.46728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(C)SC#N)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(C)SC#N)OC

InChI

InChI=1S/C16H17N5O4S2/c1-10-8-14(25-3)19-15(18-10)20-16(22)21-27(23,24)13-7-5-4-6-12(13)11(2)26-9-17/h4-8,11H,1-3H3,(H2,18,19,20,21,22)