2-(2-methylphenyl)sulfanyl-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]ethanamide Openeye Name: N-[2-[(5-nitro-2-pyridyl)amino]ethyl]-2-(o-tolylsulfanyl)acetamide CAS Name: 2-[(2-methylphenyl)thio]-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]acetamide IUPAC Name: 2-(2-methylphenyl)sulfanyl-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]acetamide Traditional Name: N-[2-[(5-nitro-2-pyridyl)amino]ethyl]-2-(o-tolylthio)acetamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S/c1-12-4-2-3-5-14(12)24-11-16(21)18-9-8-17-15-7-6-13(10-19-15)20(22)23/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,21)