6-[5-ethyl-4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[5-ethyl-4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[5-ethyl-4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[5-ethyl-4-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[5-ethyl-4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[5-ethyl-4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]pyridazin-3-olate Formula: C19H17N6O2S- MolecularWeight: 393.44228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3)C4=NN=C(C=C4)[O-])CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3)C4=NN=C(C=C4)[O-])CC

InChI

InChI=1S/C19H18N6O2S/c1-3-11-5-6-13-15(9-11)28-19(21-13)22-18(27)12-10-20-25(14(12)4-2)16-7-8-17(26)24-23-16/h5-10H,3-4H2,1-2H3,(H,24,26)(H,21,22,27)/p-1