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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NNC(=N2)C3CC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NNC(=N2)C3CC3)OC

InChI

InChI=1S/C15H17N3O3S/c1-20-10-5-6-11(13(7-10)21-2)12(19)8-22-15-16-14(17-18-15)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,16,17,18)