2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-[(E)-styryl]sulfonylpiperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-[(E)-styryl]sulfonylpiperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)S(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)S(=O)(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S2/c30-25-22-10-5-4-9-21(22)24(23-11-6-17-33-23)26-29(25)19-27-13-15-28(16-14-27)34(31,32)18-12-20-7-2-1-3-8-20/h1-12,17-18H,13-16,19H2/b18-12+