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

Systemtic Name: 3-[2-(3-chloranylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(3-chlorophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(3-chlorophenoxy)ethylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(3-chlorophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(3-chlorophenoxy)ethylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H16ClN3O2S/c1-22-14-7-5-12(6-8-14)16-19-17(21-20-16)24-10-9-23-15-4-2-3-13(18)11-15/h2-8,11H,9-10H2,1H3,(H,19,20,21)