3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-(methylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3,4-dimethoxyphenyl)-5-(methylthio)-1,2,4-triazole Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SC)OC

InChI

InChI=1S/C14H17N3O2S/c1-5-8-17-13(15-16-14(17)20-4)10-6-7-11(18-2)12(9-10)19-3/h5-7,9H,1,8H2,2-4H3