5-(3,3-dimethylbutylsulfanyl)-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-(3,3-dimethylbutylsulfanyl)-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-(3,3-dimethylbutylsulfanyl)-1-phenyl-tetrazole CAS Name: 5-(3,3-dimethylbutylthio)-1-phenyltetrazole IUPAC Name: 5-(3,3-dimethylbutylsulfanyl)-1-phenyltetrazole Traditional Name: 5-(3,3-dimethylbutylthio)-1-phenyl-tetrazole Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CCSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c1-13(2,3)9-10-18-12-14-15-16-17(12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3