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

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[(4-ethyl-5-veratryl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-4-24-20(13-15-10-11-18(26-2)19(12-15)27-3)22-23-21(24)28-14-17(25)16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3