1-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21N3O3S/c1-4-19-21-22-20(23(19)15-8-6-5-7-9-15)27-13-16(24)14-10-11-17(25-2)18(12-14)26-3/h5-12H,4,13H2,1-3H3