2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-besylpiperazino)ethanone Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3S2/c1-3-9-23-15(2)19-20-18(23)27-14-17(24)21-10-12-22(13-11-21)28(25,26)16-7-5-4-6-8-16/h3-8H,1,9-14H2,2H3