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

Systemtic Name: 3-[2-(4-methyl-2-sulfanyl-phenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[2-(4-methyl-2-sulfanyl-phenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[2-(2-mercapto-4-methylphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[2-(4-methyl-2-sulfanylphenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[2-(2-mercapto-4-methyl-phenyl)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC3=C(N2)C=CC(=C3)C4=NNC(=O)CC4)S

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC3=C(N2)C=CC(=C3)C4=NNC(=O)CC4)S

InChI

InChI=1S/C19H17N3OS/c1-11-2-4-14(18(24)8-11)17-10-13-9-12(3-5-15(13)20-17)16-6-7-19(23)22-21-16/h2-5,8-10,20,24H,6-7H2,1H3,(H,22,23)