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

Systemtic Name: 4-azanyl-5-octyl-3-oxidanylidene-2-[4-(sulfinatoamino)phenyl]-1H-pyrazole Openeye Name: 4-amino-5-octyl-3-oxo-2-[4-(sulfinatoamino)phenyl]-1H-pyrazole CAS Name: 4-amino-5-octyl-3-oxo-2-[4-(sulfinatoamino)phenyl]-1H-pyrazole IUPAC Name: 4-amino-5-octyl-3-oxo-2-[4-(sulfinatoamino)phenyl]-1H-pyrazole Traditional Name: 4-amino-5-keto-3-octyl-1-[4-(sulfinatoamino)phenyl]-3-pyrazoline Formula: C17H25N4O3S- MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)NS(=O)[O-])N

Isomeric SMILES

CCCCCCCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)NS(=O)[O-])N

InChI

InChI=1S/C17H26N4O3S/c1-2-3-4-5-6-7-8-15-16(18)17(22)21(19-15)14-11-9-13(10-12-14)20-25(23)24/h9-12,19-20H,2-8,18H2,1H3,(H,23,24)/p-1