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

Systemtic Name: N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-pentoxy-benzamide Openeye Name: N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-pentoxy-benzamide CAS Name: N-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide IUPAC Name: N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H21Cl2N3O2S2 MolecularWeight: 482.44634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2S2/c1-2-3-4-11-28-17-9-6-14(7-10-17)19(27)24-20-25-26-21(30-20)29-13-15-5-8-16(22)12-18(15)23/h5-10,12H,2-4,11,13H2,1H3,(H,24,25,27)