3-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[2-(4-methoxyphenoxy)ethylthio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[2-(4-methoxyphenoxy)ethylthio]-5-(2-thienyl)-1,2,4-triazole Formula: C22H21N3O2S2 MolecularWeight: 423.55104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)OCCSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H21N3O2S2/c1-26-18-9-11-19(12-10-18)27-13-15-29-22-24-23-21(20-8-5-14-28-20)25(22)16-17-6-3-2-4-7-17/h2-12,14H,13,15-16H2,1H3