3-[(3-chlorophenyl)methylsulfanyl]-5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-[4-(cyclopentoxy)phenyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-5-[4-(cyclopentoxy)phenyl]-4-methyl-1,2,4-triazole Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC4CCCC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC4CCCC4

InChI

InChI=1S/C21H22ClN3OS/c1-25-20(16-9-11-19(12-10-16)26-18-7-2-3-8-18)23-24-21(25)27-14-15-5-4-6-17(22)13-15/h4-6,9-13,18H,2-3,7-8,14H2,1H3