5-azanyl-4-methyl-3-oxidanylidene-2-[[4-(sulfinatoamino)phenyl]methyl]-1H-pyrazole

Systemtic Name: 5-azanyl-4-methyl-3-oxidanylidene-2-[[4-(sulfinatoamino)phenyl]methyl]-1H-pyrazole Openeye Name: 5-amino-4-methyl-3-oxo-2-[[4-(sulfinatoamino)phenyl]methyl]-1H-pyrazole CAS Name: 5-amino-4-methyl-3-oxo-2-[[4-(sulfinatoamino)phenyl]methyl]-1H-pyrazole IUPAC Name: 5-amino-4-methyl-3-oxo-2-[[4-(sulfinatoamino)phenyl]methyl]-1H-pyrazole Traditional Name: 3-amino-5-keto-4-methyl-1-[4-(sulfinatoamino)benzyl]-3-pyrazoline Formula: C11H13N4O3S- MolecularWeight: 281.31092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC=C(C=C2)NS(=O)[O-])N

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC=C(C=C2)NS(=O)[O-])N

InChI

InChI=1S/C11H14N4O3S/c1-7-10(12)13-15(11(7)16)6-8-2-4-9(5-3-8)14-19(17)18/h2-5,13-14H,6,12H2,1H3,(H,17,18)/p-1