2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-[(4-methoxyphenyl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5-(p-anisylthio)-1,3,4-thiadiazole Formula: C21H24N2OS3 MolecularWeight: 416.62306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N2OS3/c1-21(2,3)17-9-5-15(6-10-17)13-25-19-22-23-20(27-19)26-14-16-7-11-18(24-4)12-8-16/h5-12H,13-14H2,1-4H3