2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C16H10N4O3S MolecularWeight: 338.3406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O3S/c21-15-9-13(10-5-7-11(8-6-10)20(22)23)18-19(15)16-17-12-3-1-2-4-14(12)24-16/h1-9,18H