6-[5-methyl-4-(3-phenothiazin-10-ylpropylcarbamoyl)pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[5-methyl-4-(3-phenothiazin-10-ylpropylcarbamoyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[5-methyl-4-(3-phenothiazin-10-ylpropylcarbamoyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[5-methyl-4-[oxo-[3-(10-phenothiazinyl)propylamino]methyl]-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[5-methyl-4-(3-phenothiazin-10-ylpropylcarbamoyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[5-methyl-4-(3-phenothiazin-10-ylpropylcarbamoyl)pyrazol-1-yl]pyridazin-3-olate Formula: C24H21N6O2S- MolecularWeight: 457.52754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)NCCCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)NCCCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H22N6O2S/c1-16-17(15-26-30(16)22-11-12-23(31)28-27-22)24(32)25-13-6-14-29-18-7-2-4-9-20(18)33-21-10-5-3-8-19(21)29/h2-5,7-12,15H,6,13-14H2,1H3,(H,25,32)(H,28,31)/p-1