N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-(2-pyridylthio)acetamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O3S/c17-13-10-12(21(23)24)5-6-14(13)18-8-3-9-19-15(22)11-25-16-4-1-2-7-20-16/h1-2,4-7,10,18H,3,8-9,11H2,(H,19,22)