2-[5-(1-cyanoethyl)-2-phenyl-phenyl]ethanethioic S-acid

Systemtic Name: 2-[5-(1-cyanoethyl)-2-phenyl-phenyl]ethanethioic S-acid Openeye Name: 2-[5-(1-cyanoethyl)-2-phenyl-phenyl]ethanethioic S-acid CAS Name: 2-[5-(1-cyanoethyl)-2-phenylphenyl]ethanethioic S-acid IUPAC Name: 2-[5-(1-cyanoethyl)-2-phenylphenyl]ethanethioic S-acid Traditional Name: 2-[5-(1-cyanoethyl)-2-phenyl-phenyl]thioacetic acid Formula: C17H15NOS MolecularWeight: 281.3721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NOS/c1-12(11-18)14-7-8-16(13-5-3-2-4-6-13)15(9-14)10-17(19)20/h2-9,12H,10H2,1H3,(H,19,20)