[4-(4-cyanophenyl)phenyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C25H16ClNO2S MolecularWeight: 429.91804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=CC=C2)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=CC=C2)Cl

InChI

InChI=1S/C25H16ClNO2S/c26-22-5-1-3-20-4-2-6-23(25(20)22)30-16-24(28)29-21-13-11-19(12-14-21)18-9-7-17(15-27)8-10-18/h1-14H,16H2