1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-(4-thieno[3,2-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-[(E)-styryl]sulfonylpiperazino]-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=C2SC=C3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=C2SC=C3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S3/c25-18(14-29-20-19-17(6-12-28-19)21-15-22-20)23-8-10-24(11-9-23)30(26,27)13-7-16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2/b13-7+