4-(furan-2-ylmethylsulfanylmethyl)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]benzamide

Systemtic Name: 4-(furan-2-ylmethylsulfanylmethyl)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]benzamide Openeye Name: 4-(2-furylmethylsulfanylmethyl)-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]benzamide CAS Name: 4-[(2-furanylmethylthio)methyl]-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]benzamide IUPAC Name: 4-(furan-2-ylmethylsulfanylmethyl)-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]benzamide Traditional Name: 4-[(2-furfurylthio)methyl]-N-[2-[(5-nitro-2-pyridyl)amino]ethyl]benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCC2=CC=C(C=C2)C(=O)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CSCC2=CC=C(C=C2)C(=O)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c25-20(22-10-9-21-19-8-7-17(12-23-19)24(26)27)16-5-3-15(4-6-16)13-29-14-18-2-1-11-28-18/h1-8,11-12H,9-10,13-14H2,(H,21,23)(H,22,25)