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

Systemtic Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c1-29-20-12-10-17(11-13-20)21-23-24-22(25(21)18-7-3-2-4-8-18)30-15-16-6-5-9-19(14-16)26(27)28/h5-6,9-14,18H,2-4,7-8,15H2,1H3