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

Systemtic Name: 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-cinnamylsulfanyl-4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(cinnamylthio)-5-(4-methoxyphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25N3O2S/c1-3-31-24-17-13-22(14-18-24)29-25(21-11-15-23(30-2)16-12-21)27-28-26(29)32-19-7-10-20-8-5-4-6-9-20/h4-18H,3,19H2,1-2H3