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

Systemtic Name: 1-(2,6-dimethylphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(2,6-dimethylphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]tetrazole CAS Name: 1-(2,6-dimethylphenyl)-5-[(4-methoxyphenyl)methylthio]tetrazole IUPAC Name: 1-(2,6-dimethylphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]tetrazole Traditional Name: 1-(2,6-dimethylphenyl)-5-(p-anisylthio)tetrazole Formula: C17H18N4OS MolecularWeight: 326.41602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H18N4OS/c1-12-5-4-6-13(2)16(12)21-17(18-19-20-21)23-11-14-7-9-15(22-3)10-8-14/h4-10H,11H2,1-3H3