[4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] pentanoate

Systemtic Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] pentanoate Openeye Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] pentanoate CAS Name: pentanoic acid [4-[4-[[(4-cyanophenyl)thio]-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] pentanoate Traditional Name: valeric acid [4-[4-[(4-cyanophenyl)thio]carbonylphenyl]phenyl] ester Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H21NO3S/c1-2-3-4-24(27)29-22-13-11-20(12-14-22)19-7-9-21(10-8-19)25(28)30-23-15-5-18(17-26)6-16-23/h5-16H,2-4H2,1H3