4-quinolin-2-ylsulfanylbenzoate

Systemtic Name: 4-quinolin-2-ylsulfanylbenzoate Openeye Name: 4-(2-quinolylsulfanyl)benzoate CAS Name: 4-(2-quinolinylthio)benzoate IUPAC Name: 4-quinolin-2-ylsulfanylbenzoate Traditional Name: 4-(2-quinolylthio)benzoate Formula: C16H10NO2S- MolecularWeight: 280.3211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H11NO2S/c18-16(19)12-5-8-13(9-6-12)20-15-10-7-11-3-1-2-4-14(11)17-15/h1-10H,(H,18,19)/p-1