2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-methylthiazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(4-methyl-2-thiazolyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(4-methylthiazol-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C17H18N4O3S3 MolecularWeight: 422.54482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H18N4O3S3/c1-13-11-25-17(19-13)26-12-16(22)20-6-8-21(9-7-20)27(23,24)15-5-3-2-4-14(15)10-18/h2-5,11H,6-9,12H2,1H3