N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)-2-(phenylthio)nicotinamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-13-19(25)24-17-12-14(9-10-18(17)27-13)23-20(26)16-8-5-11-22-21(16)28-15-6-3-2-4-7-15/h2-13H,1H3,(H,23,26)(H,24,25)