3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18ClN3OS/c1-3-22-17(14-7-9-16(23-2)10-8-14)20-21-18(22)24-12-13-5-4-6-15(19)11-13/h4-11H,3,12H2,1-2H3