1-(1,3-benzothiazol-2-yl)-5-pyrrol-1-yl-pyrazole-4-carboxylate

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-5-pyrrol-1-yl-pyrazole-4-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-yl)-5-pyrrol-1-yl-pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-(1-pyrrolyl)-4-pyrazolecarboxylate IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-pyrrol-1-ylpyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-pyrrol-1-yl-pyrazole-4-carboxylate Formula: C15H9N4O2S- MolecularWeight: 309.32256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C=N3)C(=O)[O-])N4C=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C=N3)C(=O)[O-])N4C=CC=C4

InChI

InChI=1S/C15H10N4O2S/c20-14(21)10-9-16-19(13(10)18-7-3-4-8-18)15-17-11-5-1-2-6-12(11)22-15/h1-9H,(H,20,21)/p-1