1,1-bis(oxidanylidene)-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[[4-(1-pyrazolyl)phenyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-(4-pyrazol-1-ylbenzyl)-1,2-benzothiazol-3-one Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C17H13N3O3S/c21-17-15-4-1-2-5-16(15)24(22,23)20(17)12-13-6-8-14(9-7-13)19-11-3-10-18-19/h1-11H,12H2