1-(2,6-dimethylphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(2,6-dimethylphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(2,6-dimethylphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole CAS Name: 1-(2,6-dimethylphenyl)-5-[(2-phenoxyphenyl)methylthio]tetrazole IUPAC Name: 1-(2,6-dimethylphenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole Traditional Name: 1-(2,6-dimethylphenyl)-5-[(2-phenoxybenzyl)thio]tetrazole Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-16-9-8-10-17(2)21(16)26-22(23-24-25-26)28-15-18-11-6-7-14-20(18)27-19-12-4-3-5-13-19/h3-14H,15H2,1-2H3