N-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxo-1-phenylethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-[(5-chloropyridin-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-1-phenyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C26H19ClN4O4S MolecularWeight: 518.97146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=NC=C(C=C2)Cl)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=NC=C(C=C2)Cl)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H19ClN4O4S/c27-19-8-15-23(28-16-19)30-26(33)24(17-4-2-1-3-5-17)36-22-13-9-20(10-14-22)29-25(32)18-6-11-21(12-7-18)31(34)35/h1-16,24H,(H,29,32)(H,28,30,33)