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

Systemtic Name: 4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzonitrile CAS Name: 4-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]benzonitrile IUPAC Name: 4-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzonitrile Traditional Name: 4-[2-[(1-phenyltetrazol-5-yl)thio]acetyl]benzonitrile Formula: C16H11N5OS MolecularWeight: 321.35644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N5OS/c17-10-12-6-8-13(9-7-12)15(22)11-23-16-18-19-20-21(16)14-4-2-1-3-5-14/h1-9H,11H2