[[4-(methylideneamino)-3-oxidanylidene-4H-pyridin-2-yl]-[(Z)-N'-oxidanylcarbamimidoyl]amino] 4-methylbenzenesulfonate

Systemtic Name: [[4-(methylideneamino)-3-oxidanylidene-4H-pyridin-2-yl]-[(Z)-N'-oxidanylcarbamimidoyl]amino] 4-methylbenzenesulfonate Openeye Name: [[(Z)-N'-hydroxycarbamimidoyl]-[4-(methyleneamino)-3-oxo-4H-pyridin-2-yl]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[(Z)-amino(hydroxyimino)methyl]-[4-(methyleneamino)-3-oxo-4H-pyridin-2-yl]amino] ester IUPAC Name: [[(Z)-N'-hydroxycarbamimidoyl]-[4-(methylideneamino)-3-oxo-4H-pyridin-2-yl]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[(Z)-aminocarbohydroximoyl]-[3-keto-4-(methyleneamino)-4H-pyridin-2-yl]amino] ester Formula: C14H15N5O5S MolecularWeight: 365.3644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON(C2=NC=CC(C2=O)N=C)C(=NO)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON(C2=NC=CC(C2=O)N=C)/C(=N\O)/N

InChI

InChI=1S/C14H15N5O5S/c1-9-3-5-10(6-4-9)25(22,23)24-19(14(15)18-21)13-12(20)11(16-2)7-8-17-13/h3-8,11,21H,2H2,1H3,(H2,15,18)