2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-allyl-5-(benzenesulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCCC2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCCC2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S2/c1-2-10-22-16(14-27(24,25)15-8-4-3-5-9-15)19-20-18(22)26-13-17(23)21-11-6-7-12-21/h2-5,8-9H,1,6-7,10-14H2