3-[1-(2-chlorophenyl)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[1-(2-chlorophenyl)ethylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[1-(2-chlorophenyl)ethylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1=CC=CC=C1Cl)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16ClN3OS/c1-11(14-5-3-4-6-15(14)18)23-17-19-16(20-21-17)12-7-9-13(22-2)10-8-12/h3-11H,1-2H3,(H,19,20,21)