N-[2-[(2-nitrophenyl)amino]ethyl]-2-propan-2-ylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[(2-nitrophenyl)amino]ethyl]-2-propan-2-ylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-isopropylsulfanyl-N-[2-(2-nitroanilino)ethyl]pyridine-3-carboxamide CAS Name: N-[2-(2-nitroanilino)ethyl]-2-(propan-2-ylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(2-nitroanilino)ethyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide Traditional Name: 2-(isopropylthio)-N-[2-(2-nitroanilino)ethyl]nicotinamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c1-12(2)25-17-13(6-5-9-20-17)16(22)19-11-10-18-14-7-3-4-8-15(14)21(23)24/h3-9,12,18H,10-11H2,1-2H3,(H,19,22)