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

Systemtic Name: 3-[4-azanyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[(4-tert-butylphenyl)methylthio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-[(4-tert-butylbenzyl)thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C23H31N5O2S2 MolecularWeight: 473.65454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H31N5O2S2/c1-6-27(7-2)32(29,30)20-10-8-9-18(15-20)21-25-26-22(28(21)24)31-16-17-11-13-19(14-12-17)23(3,4)5/h8-15H,6-7,16,24H2,1-5H3