3-(furan-2-yl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

InChI

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