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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[2-(4-methoxyphenyl)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[2-(4-methoxyphenyl)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[2-(4-methoxyphenyl)ethylthio]-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)CCSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

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