1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NN2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NN2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H19N5O3S2/c24-17(12-27-18-19-13-20-21-18)22-7-9-23(10-8-22)28(25,26)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,13H,7-10,12H2,(H,19,20,21)