N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide

Systemtic Name: N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide Openeye Name: N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide CAS Name: N-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hexoxybenzamide IUPAC Name: N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxybenzamide Traditional Name: N-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide Formula: C22H23Cl2N3O2S2 MolecularWeight: 496.47292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O2S2/c1-2-3-4-5-12-29-18-10-7-15(8-11-18)20(28)25-21-26-27-22(31-21)30-14-16-6-9-17(23)13-19(16)24/h6-11,13H,2-5,12,14H2,1H3,(H,25,26,28)