5-[4-[(3,5-ditert-butylphenyl)sulfanylmethyl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[4-[(3,5-ditert-butylphenyl)sulfanylmethyl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[4-[(3,5-ditert-butylphenyl)sulfanylmethyl]phenyl]-2H-tetrazole CAS Name: 5-[4-[[(3,5-ditert-butylphenyl)thio]methyl]phenyl]-2H-tetrazole IUPAC Name: 5-[4-[(3,5-ditert-butylphenyl)sulfanylmethyl]phenyl]-2H-tetrazole Traditional Name: 5-[4-[[(3,5-ditert-butylphenyl)thio]methyl]phenyl]-2H-tetrazole Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)SCC2=CC=C(C=C2)C3=NNN=N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)SCC2=CC=C(C=C2)C3=NNN=N3)C(C)(C)C

InChI

InChI=1S/C22H28N4S/c1-21(2,3)17-11-18(22(4,5)6)13-19(12-17)27-14-15-7-9-16(10-8-15)20-23-25-26-24-20/h7-13H,14H2,1-6H3,(H,23,24,25,26)