N-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C20H15ClN4O4S MolecularWeight: 442.8755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=NC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=NC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN4O4S/c21-14-3-10-18(22-11-14)24-19(26)12-30-17-8-4-15(5-9-17)23-20(27)13-1-6-16(7-2-13)25(28)29/h1-11H,12H2,(H,23,27)(H,22,24,26)