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

Systemtic Name: 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoate Openeye Name: 4-(1-phenyltetrazol-5-yl)sulfanylbutanoate CAS Name: 4-[(1-phenyl-5-tetrazolyl)thio]butanoate IUPAC Name: 4-(1-phenyltetrazol-5-yl)sulfanylbutanoate Traditional Name: 4-[(1-phenyltetrazol-5-yl)thio]butyrate Formula: C11H11N4O2S- MolecularWeight: 263.29564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O2S/c16-10(17)7-4-8-18-11-12-13-14-15(11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17)/p-1