4-[[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-keto-ethyl]thio]methyl]benzonitrile Formula: C18H18ClN3O3S3 MolecularWeight: 456.00182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H18ClN3O3S3/c19-16-5-6-18(27-16)28(24,25)22-9-7-21(8-10-22)17(23)13-26-12-15-3-1-14(11-20)2-4-15/h1-6H,7-10,12-13H2