N,N-diethyl-2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N,N-diethyl-2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(benzenesulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1CC=C)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1CC=C)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H24N4O3S2/c1-4-12-22-16(14-27(24,25)15-10-8-7-9-11-15)19-20-18(22)26-13-17(23)21(5-2)6-3/h4,7-11H,1,5-6,12-14H2,2-3H3