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

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-1-(4-benzylsulfonylpiperazino)ethanone Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3S2/c1-2-8-22-15-19-20-18(22)27-13-17(24)21-9-11-23(12-10-21)28(25,26)14-16-6-4-3-5-7-16/h2-7,15H,1,8-14H2