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

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione Openeye Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-phenyl-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione Traditional Name: 5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-phenyl-1,3,4-thiadiazole-2-thione Formula: C21H24N2S3 MolecularWeight: 400.62366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2S3/c1-14-11-16(21(3,4)5)12-15(2)18(14)13-25-19-22-23(20(24)26-19)17-9-7-6-8-10-17/h6-12H,13H2,1-5H3