4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3-methoxyphenyl)-5-(2-phenoxyethylthio)-4-p-phenetyl-1,2,4-triazole Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H25N3O3S/c1-3-30-22-14-12-20(13-15-22)28-24(19-8-7-11-23(18-19)29-2)26-27-25(28)32-17-16-31-21-9-5-4-6-10-21/h4-15,18H,3,16-17H2,1-2H3