5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C22H27N3S2 MolecularWeight: 397.59988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(S2)NCC3=CC=CC=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(S2)NCC3=CC=CC=C3)C)C(C)(C)C

InChI

InChI=1S/C22H27N3S2/c1-15-11-18(22(3,4)5)12-16(2)19(15)14-26-21-25-24-20(27-21)23-13-17-9-7-6-8-10-17/h6-12H,13-14H2,1-5H3,(H,23,24)