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

Systemtic Name: 3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-cyclohexyl-5-[(3,4-dichlorophenyl)methylthio]-4-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-cyclohexyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-cyclohexyl-5-[(3,4-dichlorobenzyl)thio]-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H23Cl2N3OS MolecularWeight: 448.40852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)C4CCCCC4

InChI

InChI=1S/C22H23Cl2N3OS/c1-28-18-10-8-17(9-11-18)27-21(16-5-3-2-4-6-16)25-26-22(27)29-14-15-7-12-19(23)20(24)13-15/h7-13,16H,2-6,14H2,1H3