3-[5-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-[2-(4-cyanophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-[[2-(4-cyanophenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-[[2-(4-cyanophenyl)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C27H25N5O3S2 MolecularWeight: 531.6491

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H25N5O3S2/c1-3-31(4-2)37(34,35)24-12-8-9-22(17-24)26-29-30-27(32(26)23-10-6-5-7-11-23)36-19-25(33)21-15-13-20(18-28)14-16-21/h5-17H,3-4,19H2,1-2H3