5-[(4-tert-butylphenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butylphenyl)methylthio]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-tert-butylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-methoxyphenyl)amine Formula: C20H23N3OS2 MolecularWeight: 385.54612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N3OS2/c1-20(2,3)15-7-5-14(6-8-15)13-25-19-23-22-18(26-19)21-16-9-11-17(24-4)12-10-16/h5-12H,13H2,1-4H3,(H,21,22)