N-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C20H15ClN4O4S MolecularWeight: 442.8755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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