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

Systemtic Name: 4-cyclohexyl-3-[(4-methoxyphenyl)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(4-methoxyphenyl)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(4-methoxyphenyl)methyl]-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(4-methoxyphenyl)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(3-nitrobenzyl)thio]-5-p-anisyl-1,2,4-triazole Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O3S/c1-30-21-12-10-17(11-13-21)15-22-24-25-23(26(22)19-7-3-2-4-8-19)31-16-18-6-5-9-20(14-18)27(28)29/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3