N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[5-[2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[5-[[2-keto-2-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C30H25N7O6S2 MolecularWeight: 643.6928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)C5=CC=CO5)C6=CC=CS6

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)C5=CC=CO5)C6=CC=CS6

InChI

InChI=1S/C30H25N7O6S2/c1-42-22-12-6-19(7-13-22)24-16-23(26-5-3-15-44-26)34-36(24)28(38)18-45-30-33-32-27(17-31-29(39)25-4-2-14-43-25)35(30)20-8-10-21(11-9-20)37(40)41/h2-15,24H,16-18H2,1H3,(H,31,39)