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

Systemtic Name: 3-[4-azanyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-(4-amino-5-isobutylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-(2-methylpropylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-(isobutylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C16H25N5O2S2 MolecularWeight: 383.532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O2S2/c1-5-20(6-2)25(22,23)14-9-7-8-13(10-14)15-18-19-16(21(15)17)24-11-12(3)4/h7-10,12H,5-6,11,17H2,1-4H3