2-[4-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(4,5-dihydrothiazol-2-ylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-thiazolin-2-ylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C16H18N4O3S3 MolecularWeight: 410.53412

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CSC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H18N4O3S3/c17-11-13-3-1-2-4-14(13)26(22,23)20-8-6-19(7-9-20)15(21)12-25-16-18-5-10-24-16/h1-4H,5-10,12H2