2-[(S)-cyano(phenyl)methyl]sulfanyl-6-phenyl-4-thiophen-2-yl-benzoic acid

Systemtic Name: 2-[(S)-cyano(phenyl)methyl]sulfanyl-6-phenyl-4-thiophen-2-yl-benzoic acid Openeye Name: 2-[(S)-cyano(phenyl)methyl]sulfanyl-6-phenyl-4-(2-thienyl)benzoic acid CAS Name: 2-[[(S)-cyano(phenyl)methyl]thio]-6-phenyl-4-thiophen-2-ylbenzoic acid IUPAC Name: 2-[(S)-cyano(phenyl)methyl]sulfanyl-6-phenyl-4-thiophen-2-ylbenzoic acid Traditional Name: 2-[[(S)-cyano(phenyl)methyl]thio]-6-phenyl-4-(2-thienyl)benzoic acid Formula: C25H17NO2S2 MolecularWeight: 427.53798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CC=CS3)SC(C#N)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CC=CS3)S[C@H](C#N)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H17NO2S2/c26-16-23(18-10-5-2-6-11-18)30-22-15-19(21-12-7-13-29-21)14-20(24(22)25(27)28)17-8-3-1-4-9-17/h1-15,23H,(H,27,28)/t23-/m1/s1