4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(2-methylsulfanylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(2-methylsulfanylethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(2-methylsulfanylethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-[2-(methylthio)ethylthio]-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(2-methylsulfanylethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-[2-(methylthio)ethylthio]-1,2,4-triazole Formula: C18H18ClN3OS2 MolecularWeight: 391.93802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCCSC

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCCSC

InChI

InChI=1S/C18H18ClN3OS2/c1-23-16-5-3-4-13(12-16)17-20-21-18(25-11-10-24-2)22(17)15-8-6-14(19)7-9-15/h3-9,12H,10-11H2,1-2H3