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

Systemtic Name: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-chloranyl-benzamide Openeye Name: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-chloro-benzamide CAS Name: N-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-chlorobenzamide IUPAC Name: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-chlorobenzamide Traditional Name: N-[5-[(4-tert-butylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-chloro-benzamide Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3OS2/c1-20(2,3)15-9-7-13(8-10-15)12-26-19-24-23-18(27-19)22-17(25)14-5-4-6-16(21)11-14/h4-11H,12H2,1-3H3,(H,22,23,25)