3-(furan-2-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-furyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(2-furanyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-furyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C20H16N4O4S/c1-27-17-10-9-16(24(25)26)12-14(17)13-29-20-22-21-19(18-8-5-11-28-18)23(20)15-6-3-2-4-7-15/h2-12H,13H2,1H3