3-[5-butylsulfanyl-4-(2,2-dimethoxyethyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[5-butylsulfanyl-4-(2,2-dimethoxyethyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[5-butylsulfanyl-4-(2,2-dimethoxyethyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[5-(butylthio)-4-(2,2-dimethoxyethyl)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[5-butylsulfanyl-4-(2,2-dimethoxyethyl)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[5-(butylthio)-4-(2,2-dimethoxyethyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Formula: C18H28N4O4S2 MolecularWeight: 428.56932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1CC(OC)OC)C2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CCCCSC1=NN=C(N1CC(OC)OC)C2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H28N4O4S2/c1-6-7-11-27-18-20-19-17(22(18)13-16(25-4)26-5)14-9-8-10-15(12-14)28(23,24)21(2)3/h8-10,12,16H,6-7,11,13H2,1-5H3