1-tert-butyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-tert-butyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-tert-butyl-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]tetrazole CAS Name: 1-tert-butyl-5-[(1-phenyl-5-tetrazolyl)methylthio]tetrazole IUPAC Name: 1-tert-butyl-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]tetrazole Traditional Name: 1-tert-butyl-5-[(1-phenyltetrazol-5-yl)methylthio]tetrazole Formula: C13H16N8S MolecularWeight: 316.38474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C13H16N8S/c1-13(2,3)21-12(15-17-19-21)22-9-11-14-16-18-20(11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3