1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H21N5O3S3 MolecularWeight: 499.62884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NNC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NNC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H21N5O3S3/c28-20(15-32-22-23-21(24-25-22)19-6-3-13-31-19)26-9-11-27(12-10-26)33(29,30)18-8-7-16-4-1-2-5-17(16)14-18/h1-8,13-14H,9-12,15H2,(H,23,24,25)