N-(1-oxidanylidene-2H-isoquinolin-6-yl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1-oxidanylidene-2H-isoquinolin-6-yl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-(1-oxo-2H-isoquinolin-6-yl)-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(1-keto-2H-isoquinolin-6-yl)-2-(phenylthio)nicotinamide Formula: C21H15N3O2S MolecularWeight: 373.4277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)C(=O)NC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)C(=O)NC=C4

InChI

InChI=1S/C21H15N3O2S/c25-19-17-9-8-15(13-14(17)10-12-22-19)24-20(26)18-7-4-11-23-21(18)27-16-5-2-1-3-6-16/h1-13H,(H,22,25)(H,24,26)