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

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H22N6O3S2 MolecularWeight: 494.58918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O3S2/c30-21(16-33-23-25-22(26-27-23)18-7-9-24-10-8-18)28-11-13-29(14-12-28)34(31,32)20-6-5-17-3-1-2-4-19(17)15-20/h1-10,15H,11-14,16H2,(H,25,26,27)