1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C15H19N5O3S2 MolecularWeight: 381.47306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NN2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NN2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C15H19N5O3S2/c21-14(10-24-15-16-12-17-18-15)19-6-8-20(9-7-19)25(22,23)11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,17,18)