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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-(3-methylbut-2-enylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethoxyphenyl)-3-(3-methylbut-2-enylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethoxyphenyl)-3-(3-methylbut-2-enylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-(3-methylbut-2-enylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethoxyphenyl)-3-(3-methylbut-2-enylthio)-5-phenyl-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC(=CCSC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-15(2)12-13-27-21-23-22-20(16-8-6-5-7-9-16)24(21)17-10-11-18(25-3)19(14-17)26-4/h5-12,14H,13H2,1-4H3