3-(5-azanyl-4-isocyano-3-methyl-pyrazol-1-yl)-4-methyl-benzenesulfonate

Systemtic Name: 3-(5-azanyl-4-isocyano-3-methyl-pyrazol-1-yl)-4-methyl-benzenesulfonate Openeye Name: 3-(5-amino-4-isocyano-3-methyl-pyrazol-1-yl)-4-methyl-benzenesulfonate CAS Name: 3-(5-amino-4-isocyano-3-methyl-1-pyrazolyl)-4-methylbenzenesulfonate IUPAC Name: 3-(5-amino-4-isocyano-3-methylpyrazol-1-yl)-4-methylbenzenesulfonate Traditional Name: 3-(5-amino-4-isocyano-3-methyl-pyrazol-1-yl)-4-methyl-besylate Formula: C12H11N4O3S- MolecularWeight: 291.30574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])N2C(=C(C(=N2)C)[N+]#[C-])N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])N2C(=C(C(=N2)C)[N+]#[C-])N

InChI

InChI=1S/C12H12N4O3S/c1-7-4-5-9(20(17,18)19)6-10(7)16-12(13)11(14-3)8(2)15-16/h4-6H,13H2,1-2H3,(H,17,18,19)/p-1