5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pentanoate

Systemtic Name: 5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pentanoate Openeye Name: 5-(1-phenyltetrazol-5-yl)sulfanylpentanoate CAS Name: 5-[(1-phenyl-5-tetrazolyl)thio]pentanoate IUPAC Name: 5-(1-phenyltetrazol-5-yl)sulfanylpentanoate Traditional Name: 5-[(1-phenyltetrazol-5-yl)thio]valerate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCCCC(=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c17-11(18)8-4-5-9-19-12-13-14-15-16(12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,18)/p-1