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3-cyano-5-methanethioyl-benzoic acid

3-cyano-5-methanethioyl-benzoic acid

Systemtic Name:3-cyano-5-methanethioyl-benzoic acid
Openeye Name:3-cyano-5-methanethioyl-benzoic acid
CAS Name:3-cyano-5-methanethioylbenzoic acid
IUPAC Name:3-cyano-5-methanethioylbenzoic acid
Traditional Name:3-cyano-5-thioformyl-benzoic acid
Formula: C9H5NO2S
MolecularWeight: 191.2065
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)C#N)C=S


Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)C#N)C=S


InChI

InChI=1S/C9H5NO2S/c10-4-6-1-7(5-13)3-8(2-6)9(11)12/h1-3,5H,(H,11,12)


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