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

Systemtic Name: 4-butoxy-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-butoxy-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-butoxy-N-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-butoxy-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-butoxy-N-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20ClN3O2S2 MolecularWeight: 433.9747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O2S2/c1-2-3-12-26-17-10-6-15(7-11-17)18(25)22-19-23-24-20(28-19)27-13-14-4-8-16(21)9-5-14/h4-11H,2-3,12-13H2,1H3,(H,22,23,25)