6-[4-(2-methylpropyl)phenyl]-2-(phenothiazin-10-ylmethyl)-4,5-dihydropyridazin-3-one

Systemtic Name: 6-[4-(2-methylpropyl)phenyl]-2-(phenothiazin-10-ylmethyl)-4,5-dihydropyridazin-3-one Openeye Name: 6-(4-isobutylphenyl)-2-(phenothiazin-10-ylmethyl)-4,5-dihydropyridazin-3-one CAS Name: 6-[4-(2-methylpropyl)phenyl]-2-(10-phenothiazinylmethyl)-4,5-dihydropyridazin-3-one IUPAC Name: 6-[4-(2-methylpropyl)phenyl]-2-(phenothiazin-10-ylmethyl)-4,5-dihydropyridazin-3-one Traditional Name: 6-(4-isobutylphenyl)-2-(phenothiazin-10-ylmethyl)-4,5-dihydropyridazin-3-one Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H27N3OS/c1-19(2)17-20-11-13-21(14-12-20)22-15-16-27(31)30(28-22)18-29-23-7-3-5-9-25(23)32-26-10-6-4-8-24(26)29/h3-14,19H,15-18H2,1-2H3