1-(2,6-dimethylphenyl)-5-(phenylmethylsulfanyl)-1,2,3,4-tetrazole

Systemtic Name: 1-(2,6-dimethylphenyl)-5-(phenylmethylsulfanyl)-1,2,3,4-tetrazole Openeye Name: 5-benzylsulfanyl-1-(2,6-dimethylphenyl)tetrazole CAS Name: 1-(2,6-dimethylphenyl)-5-(phenylmethylthio)tetrazole IUPAC Name: 5-benzylsulfanyl-1-(2,6-dimethylphenyl)tetrazole Traditional Name: 5-(benzylthio)-1-(2,6-dimethylphenyl)tetrazole Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4S/c1-12-7-6-8-13(2)15(12)20-16(17-18-19-20)21-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3