3-[(2-methoxyphenyl)-phenylsulfanyl-methyl]pyridine-4-carboxylic acid

Systemtic Name: 3-[(2-methoxyphenyl)-phenylsulfanyl-methyl]pyridine-4-carboxylic acid Openeye Name: 3-[(2-methoxyphenyl)-phenylsulfanyl-methyl]pyridine-4-carboxylic acid CAS Name: 3-[(2-methoxyphenyl)-(phenylthio)methyl]-4-pyridinecarboxylic acid IUPAC Name: 3-[(2-methoxyphenyl)-phenylsulfanylmethyl]pyridine-4-carboxylic acid Traditional Name: 3-[(2-methoxyphenyl)-(phenylthio)methyl]isonicotinic acid Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=C(C=CN=C2)C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(C2=C(C=CN=C2)C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C20H17NO3S/c1-24-18-10-6-5-9-16(18)19(25-14-7-3-2-4-8-14)17-13-21-12-11-15(17)20(22)23/h2-13,19H,1H3,(H,22,23)