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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone; ethanol Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone; ethanol CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone; ethanol IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone; ethanol Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone; ethanol Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S.C2H6O/c1-22-18(14-9-10-16(24-2)17(11-14)25-3)20-21-19(22)26-12-15(23)13-7-5-4-6-8-13;1-2-3/h4-11H,12H2,1-3H3;3H,2H2,1H3