[[C-methyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]amino] 4-methylbenzenesulfonate

Systemtic Name: [[C-methyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]amino] 4-methylbenzenesulfonate Openeye Name: [[C-methyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(5-methyl-1H-pyrazol-3-yl)imino]ethylamino] ester IUPAC Name: [[C-methyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[C-methyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]amino] ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONC(=NC2=NNC(=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONC(=NC2=NNC(=C2)C)C

InChI

InChI=1S/C13H16N4O3S/c1-9-4-6-12(7-5-9)21(18,19)20-17-11(3)14-13-8-10(2)15-16-13/h4-8H,1-3H3,(H2,14,15,16,17)