5-(5-chloranyl-2-methoxy-phenyl)-3-[2-(2-methylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[2-(2-methylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[2-(2-methylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[2-(2-methylphenoxy)ethylthio]-1H-1,2,4-triazole Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1OCCSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

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