4-(2-methoxy-5-methyl-phenyl)-3-(2-phenoxyethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-(2-methoxy-5-methyl-phenyl)-3-(2-phenoxyethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(2-methoxy-5-methyl-phenyl)-3-(2-phenoxyethylsulfanyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(2-methoxy-5-methylphenyl)-3-(2-phenoxyethylthio)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(2-methoxy-5-methylphenyl)-3-(2-phenoxyethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-(2-methoxy-5-methyl-phenyl)-3-(2-phenoxyethylthio)-5-(2-thienyl)-1,2,4-triazole Formula: C22H21N3O2S2 MolecularWeight: 423.55104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H21N3O2S2/c1-16-10-11-19(26-2)18(15-16)25-21(20-9-6-13-28-20)23-24-22(25)29-14-12-27-17-7-4-3-5-8-17/h3-11,13,15H,12,14H2,1-2H3