2-[[2-(furan-2-ylcarbonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[[2-(furan-2-ylcarbonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[2-(furan-2-carbonyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[2-[2-furanyl(oxo)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[[2-(furan-2-carbonyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[2-(2-furoyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C21H16N6O5S MolecularWeight: 464.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NN2C(=O)C3=CC=CO3)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NN2C(=O)C3=CC=CO3)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O5S/c1-13-4-5-15(11-16(13)27(30)31)23-18(28)12-33-21-24-19(14-6-8-22-9-7-14)25-26(21)20(29)17-3-2-10-32-17/h2-11H,12H2,1H3,(H,23,28)