3-(2-methoxyphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-(2-methoxyphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-phenethyl-1,2,4-triazole Openeye Name: 3-(2-methoxyphenyl)-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-4-phenethyl-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-phenethyl-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-4-phenethyl-1,2,4-triazole Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-30-20-10-6-5-9-19(20)22-24-25-23(26(22)15-13-17-7-3-2-4-8-17)32-16-14-18-11-12-21(31-18)27(28)29/h2-12,14,16H,13,15H2,1H3/b16-14+