3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3S/c1-5-27-19-10-12-20(13-11-19)28-14-15-29-22-24-23-21(25(22)16(2)3)17-6-8-18(26-4)9-7-17/h6-13,16H,5,14-15H2,1-4H3