3-(3-chlorophenyl)-3-oxidanylidene-2-(1-phenyl-1,2,3,4-tetrazol-5-yl)propanenitrile

Systemtic Name: 3-(3-chlorophenyl)-3-oxidanylidene-2-(1-phenyl-1,2,3,4-tetrazol-5-yl)propanenitrile Openeye Name: 3-(3-chlorophenyl)-3-oxo-2-(1-phenyltetrazol-5-yl)propanenitrile CAS Name: 3-(3-chlorophenyl)-3-oxo-2-(1-phenyl-5-tetrazolyl)propanenitrile IUPAC Name: 3-(3-chlorophenyl)-3-oxo-2-(1-phenyltetrazol-5-yl)propanenitrile Traditional Name: 3-(3-chlorophenyl)-3-keto-2-(1-phenyltetrazol-5-yl)propionitrile Formula: C16H10ClN5O MolecularWeight: 323.7365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN5O/c17-12-6-4-5-11(9-12)15(23)14(10-18)16-19-20-21-22(16)13-7-2-1-3-8-13/h1-9,14H