S-[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]propyl] octanethioate

Systemtic Name: S-[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]propyl] octanethioate Openeye Name: S-[3-(1-phenyltetrazol-5-yl)sulfonylpropyl] octanethioate CAS Name: octanethioic acid S-[3-[(1-phenyl-5-tetrazolyl)sulfonyl]propyl] ester IUPAC Name: S-[3-(1-phenyltetrazol-5-yl)sulfonylpropyl] octanethioate Traditional Name: octanethioic acid S-[3-(1-phenyltetrazol-5-yl)sulfonylpropyl] ester Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)SCCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)SCCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C18H26N4O3S2/c1-2-3-4-5-9-13-17(23)26-14-10-15-27(24,25)18-19-20-21-22(18)16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3