5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione Formula: C21H23ClN2S3 MolecularWeight: 435.06872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl)C)C(C)(C)C

InChI

InChI=1S/C21H23ClN2S3/c1-13-10-15(21(3,4)5)11-14(2)18(13)12-26-19-23-24(20(25)27-19)17-8-6-16(22)7-9-17/h6-11H,12H2,1-5H3