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

Systemtic Name: 3-[3-(4-chloranylphenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[3-(4-chlorophenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[3-(4-chlorophenoxy)propylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[3-(4-chlorophenoxy)propylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[3-(4-chlorophenoxy)propylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-23-15-7-3-13(4-8-15)17-20-18(22-21-17)25-12-2-11-24-16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,20,21,22)