1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N5O3S2/c1-15(2)23-14-19-20-18(23)27-12-17(24)21-8-10-22(11-9-21)28(25,26)13-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3