2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H23N5O3S3 MolecularWeight: 489.63402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C21H23N5O3S3/c27-19(24-10-12-25(13-11-24)32(28,29)17-5-2-1-3-6-17)15-31-21-23-22-20(18-7-4-14-30-18)26(21)16-8-9-16/h1-7,14,16H,8-13,15H2