3-(4-methoxyphenyl)-4-phenethyl-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[2-(4-propoxyphenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-4-phenethyl-5-[2-(4-propoxyphenoxy)ethylthio]-1,2,4-triazole Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H31N3O3S/c1-3-19-33-25-13-15-26(16-14-25)34-20-21-35-28-30-29-27(23-9-11-24(32-2)12-10-23)31(28)18-17-22-7-5-4-6-8-22/h4-16H,3,17-21H2,1-2H3