1,1-bis(oxidanylidene)-2-[(2-phenyl-3,4-dihydropyrazol-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[(2-phenyl-3,4-dihydropyrazol-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[(2-phenyl-3,4-dihydropyrazol-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[(2-phenyl-3,4-dihydropyrazol-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[(2-phenyl-3,4-dihydropyrazol-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[(2-phenyl-2-pyrazolin-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one Formula: C17H16N3O3S+ MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN([N+](=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

Isomeric SMILES

C1CN([N+](=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

InChI

InChI=1S/C17H16N3O3S/c21-17-15-9-4-5-10-16(15)24(22,23)20(17)13-18-11-6-12-19(18)14-7-2-1-3-8-14/h1-5,7-11H,6,12-13H2/q+1