3-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C20H21ClN4O2S2 MolecularWeight: 448.98934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O2S2/c1-4-12-25-19(16-8-10-17(21)11-9-16)22-23-20(25)28-14-15-6-5-7-18(13-15)29(26,27)24(2)3/h4-11,13H,1,12,14H2,2-3H3