4-[2-[[4-(3-cyanopyridin-2-yl)oxy-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-(3-cyanopyridin-2-yl)oxy-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-[(3-cyano-2-pyridyl)oxy]-2-methyl-anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(3-cyanopyridin-2-yl)oxy-2-methylanilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[4-[(3-cyano-2-pyridyl)oxy]-2-methyl-anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C22H17N5O5S MolecularWeight: 463.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O5S/c1-13-9-16(32-22-15(11-23)3-2-8-25-22)5-6-17(13)26-20(28)12-33-19-7-4-14(21(24)29)10-18(19)27(30)31/h2-10H,12H2,1H3,(H2,24,29)(H,26,28)