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

Systemtic Name: 4-tert-butyl-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H19Cl2N3OS2 MolecularWeight: 452.42036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N3OS2/c1-20(2,3)14-7-4-12(5-8-14)17(26)23-18-24-25-19(28-18)27-11-13-6-9-15(21)10-16(13)22/h4-10H,11H2,1-3H3,(H,23,24,26)