4-(3,4-dimethoxyphenyl)-3-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-cinnamylsulfanyl-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(cinnamylthio)-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H23N3O2S/c1-29-22-16-15-21(18-23(22)30-2)28-24(20-13-7-4-8-14-20)26-27-25(28)31-17-9-12-19-10-5-3-6-11-19/h3-16,18H,17H2,1-2H3