2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-1-[3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-1-[5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C21H19ClN4O4S/c1-24(12-14-10-15(26(28)29)6-7-16(14)22)13-21(27)25-18(19-4-2-8-30-19)11-17(23-25)20-5-3-9-31-20/h2-10,18H,11-13H2,1H3