2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[5-(2-furanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C21H16N4O5S/c1-29-17-9-7-15(8-10-17)24-20(19-6-3-11-30-19)22-23-21(24)31-13-18(26)14-4-2-5-16(12-14)25(27)28/h2-12H,13H2,1H3