N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-9H-xanthene-9-carboxamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-9H-xanthene-9-carboxamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-9H-xanthene-9-carboxamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-9H-xanthene-9-carboxamide Formula: C26H20N2O2S MolecularWeight: 424.5142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

InChI

InChI=1S/C26H20N2O2S/c29-26(25-21-7-1-3-9-23(21)30-24-10-4-2-8-22(24)25)28-19-11-13-20(14-12-19)31-17-18-6-5-15-27-16-18/h1-16,25H,17H2,(H,28,29)