4-[(2S)-2-oxidanyl-3-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-2-oxidanyl-3-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-(5-oxo-4-phenyl-tetrazol-1-yl)propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-(5-oxo-4-phenyl-1-tetrazolyl)propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-(5-oxo-4-phenyltetrazol-1-yl)propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-(5-keto-4-phenyl-tetrazol-1-yl)propoxy]benzonitrile Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)N(N=N2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)N(N=N2)C[C@@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C17H15N5O3/c18-10-13-6-8-16(9-7-13)25-12-15(23)11-21-17(24)22(20-19-21)14-4-2-1-3-5-14/h1-9,15,23H,11-12H2/t15-/m0/s1