3-[4-azanyl-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-azanyl-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-(cyclohexylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-(cyclohexylmethylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C19H29N5O2S2 MolecularWeight: 423.59586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3CCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3CCCCC3

InChI

InChI=1S/C19H29N5O2S2/c1-3-23(4-2)28(25,26)17-12-8-11-16(13-17)18-21-22-19(24(18)20)27-14-15-9-6-5-7-10-15/h8,11-13,15H,3-7,9-10,14,20H2,1-2H3