3-[2-(2-methoxy-4-methylsulfanyl-phenyl)-1H-indol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[2-(2-methoxy-4-methylsulfanyl-phenyl)-1H-indol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[2-(2-methoxy-4-methylsulfanyl-phenyl)-1H-indol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[2-[2-methoxy-4-(methylthio)phenyl]-1H-indol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[2-(2-methoxy-4-methylsulfanylphenyl)-1H-indol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[2-[2-methoxy-4-(methylthio)phenyl]-1H-indol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC3=C(C=C2)NC(=C3)C4=C(C=C(C=C4)SC)OC

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC3=C(C=C2)NC(=C3)C4=C(C=C(C=C4)SC)OC

InChI

InChI=1S/C21H21N3O2S/c1-12-8-20(25)23-24-21(12)13-4-7-17-14(9-13)10-18(22-17)16-6-5-15(27-3)11-19(16)26-2/h4-7,9-12,22H,8H2,1-3H3,(H,23,25)