2-[4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C20H17ClN4O3S3 MolecularWeight: 493.02198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17ClN4O3S3/c21-15-5-6-17-16(11-15)23-20(30-17)29-13-19(26)24-7-9-25(10-8-24)31(27,28)18-4-2-1-3-14(18)12-22/h1-6,11H,7-10,13H2