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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-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-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-cyclopropyl-4-phenyl-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-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C24H27N5O3S2 MolecularWeight: 497.63288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H27N5O3S2/c30-22(27-13-15-28(16-14-27)34(31,32)18-19-7-3-1-4-8-19)17-33-24-26-25-23(20-11-12-20)29(24)21-9-5-2-6-10-21/h1-10,20H,11-18H2