2-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one

Systemtic Name: 2-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]ethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one Traditional Name: 2-[2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]ethyl]-6-phenyl-pyridazin-3-one Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3S2/c1-17-7-10-21(29-17)30(27,28)24-14-11-23(12-15-24)13-16-25-20(26)9-8-19(22-25)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3