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

Systemtic Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1,2,4-triazole Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SC=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)S/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-28-17-9-7-15(8-10-17)20-22-23-21(24(20)16-5-3-2-4-6-16)30-14-13-18-11-12-19(29-18)25(26)27/h7-14,16H,2-6H2,1H3/b14-13+