2-(2-cyano-4-phenyl-phenyl)-2-thiocyanato-ethanoic acid

Systemtic Name: 2-(2-cyano-4-phenyl-phenyl)-2-thiocyanato-ethanoic acid Openeye Name: 2-(2-cyano-4-phenyl-phenyl)-2-thiocyanato-acetic acid CAS Name: 2-(2-cyano-4-phenylphenyl)-2-thiocyanatoacetic acid IUPAC Name: 2-(2-cyano-4-phenylphenyl)-2-thiocyanatoacetic acid Traditional Name: 2-(2-cyano-4-phenyl-phenyl)-2-thiocyanato-acetic acid Formula: C16H10N2O2S MolecularWeight: 294.3278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(C(=O)O)SC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(C(=O)O)SC#N)C#N

InChI

InChI=1S/C16H10N2O2S/c17-9-13-8-12(11-4-2-1-3-5-11)6-7-14(13)15(16(19)20)21-10-18/h1-8,15H,(H,19,20)