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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-(2-methylprop-2-enylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethoxyphenyl)-3-(2-methylallylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethoxyphenyl)-3-(2-methylprop-2-enylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-(2-methylprop-2-enylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethoxyphenyl)-3-(2-methylallylthio)-5-phenyl-1,2,4-triazole Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=C)CSC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-14(2)13-26-20-22-21-19(15-8-6-5-7-9-15)23(20)16-10-11-17(24-3)18(12-16)25-4/h5-12H,1,13H2,2-4H3