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

Systemtic Name: 3-[4-azanyl-5-[(3-cyanophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-[(3-cyanophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[(3-cyanophenyl)methylthio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-[(3-cyanophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-[(3-cyanobenzyl)thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H22N6O2S2 MolecularWeight: 442.55768

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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=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2S2/c1-3-25(4-2)30(27,28)18-10-6-9-17(12-18)19-23-24-20(26(19)22)29-14-16-8-5-7-15(11-16)13-21/h5-12H,3-4,14,22H2,1-2H3