2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C19H25N5O3S2/c1-22-18(16-7-8-16)20-21-19(22)28-13-17(25)23-9-11-24(12-10-23)29(26,27)14-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3