2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-propan-2-ylphenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-isopropylbenzyl)thio]nicotinate Formula: C16H16NO2S- MolecularWeight: 286.36874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C16H17NO2S/c1-11(2)13-7-5-12(6-8-13)10-20-15-14(16(18)19)4-3-9-17-15/h3-9,11H,10H2,1-2H3,(H,18,19)/p-1