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

Systemtic Name: 5-(phenylmethylsulfanyl)-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazole Openeye Name: 5-benzylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole CAS Name: 5-(phenylmethylthio)-1-(2,4,6-trimethylphenyl)tetrazole IUPAC Name: 5-benzylsulfanyl-1-(2,4,6-trimethylphenyl)tetrazole Traditional Name: 5-(benzylthio)-1-mesityl-tetrazole Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4S/c1-12-9-13(2)16(14(3)10-12)21-17(18-19-20-21)22-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3