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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethoxyphenyl)-3-[2-(methylthio)ethylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethoxyphenyl)-3-[2-(methylthio)ethylthio]-5-phenyl-1,2,4-triazole Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCCSC)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCCSC)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H21N3O2S2/c1-23-16-10-9-15(13-17(16)24-2)22-18(14-7-5-4-6-8-14)20-21-19(22)26-12-11-25-3/h4-10,13H,11-12H2,1-3H3