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

Systemtic Name: 3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C20H28N4O2S2 MolecularWeight: 420.59192

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C20H28N4O2S2/c1-4-13-24-19(17-10-6-5-7-11-17)21-22-20(24)27-15-16-9-8-12-18(14-16)28(25,26)23(2)3/h4,8-9,12,14,17H,1,5-7,10-11,13,15H2,2-3H3