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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-[(3-chlorophenyl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5-[(3-chlorobenzyl)thio]-1,3,4-thiadiazole Formula: C20H21ClN2S3 MolecularWeight: 421.04214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2S3/c1-20(2,3)16-9-7-14(8-10-16)12-24-18-22-23-19(26-18)25-13-15-5-4-6-17(21)11-15/h4-11H,12-13H2,1-3H3