sodium 4-[(3-oxidanylidene-1-benzothiophen-2-yl)carbonyl]benzenecarbonitrile

Systemtic Name: sodium 4-[(3-oxidanylidene-1-benzothiophen-2-yl)carbonyl]benzenecarbonitrile Openeye Name: sodium 4-(3-oxobenzothiophene-2-carbonyl)benzonitrile CAS Name: sodium 4-[oxo-(3-oxo-1-benzothiophen-2-yl)methyl]benzonitrile IUPAC Name: sodium 4-(3-oxo-1-benzothiophene-2-carbonyl)benzonitrile Traditional Name: sodium 4-(3-ketobenzothiophene-2-carbonyl)benzonitrile Formula: C16H9NNaO2S+ MolecularWeight: 302.30293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(S2)C(=O)C3=CC=C(C=C3)C#N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(S2)C(=O)C3=CC=C(C=C3)C#N.[Na+]

InChI

InChI=1S/C16H9NO2S.Na/c17-9-10-5-7-11(8-6-10)14(18)16-15(19)12-3-1-2-4-13(12)20-16;/h1-8,16H;/q;+1