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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21N3O3S/c1-23-19(12-14-9-10-17(25-2)18(11-14)26-3)21-22-20(23)27-13-16(24)15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3