3-methyl-5-[[5-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-methyl-5-[[5-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]-1H-pyridazin-6-one Openeye Name: 3-methyl-5-[[5-(4-phenylpiperazin-1-yl)sulfonyl-2-thienyl]methyl]-1H-pyridazin-6-one CAS Name: 3-methyl-5-[[5-[(4-phenyl-1-piperazinyl)sulfonyl]-2-thiophenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-methyl-5-[[5-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]-1H-pyridazin-6-one Traditional Name: 3-methyl-5-[[5-(4-phenylpiperazino)sulfonyl-2-thienyl]methyl]-1H-pyridazin-6-one Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CC2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NNC(=O)C(=C1)CC2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S2/c1-15-13-16(20(25)22-21-15)14-18-7-8-19(28-18)29(26,27)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,22,25)