1-methyl-5-[3-(phenylmethylsulfanyl)propylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-methyl-5-[3-(phenylmethylsulfanyl)propylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 5-(3-benzylsulfanylpropylsulfanyl)-1-methyl-tetrazole CAS Name: 1-methyl-5-[3-(phenylmethylthio)propylthio]tetrazole IUPAC Name: 5-(3-benzylsulfanylpropylsulfanyl)-1-methyltetrazole Traditional Name: 5-[3-(benzylthio)propylthio]-1-methyl-tetrazole Formula: C12H16N4S2 MolecularWeight: 280.41224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCSCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SCCCSCC2=CC=CC=C2

InChI

InChI=1S/C12H16N4S2/c1-16-12(13-14-15-16)18-9-5-8-17-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3