2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-veratryl-acetamide Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=CC(=C(C=C2)OC)OC)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=CC(=C(C=C2)OC)OC)C3CC3

InChI

InChI=1S/C18H24N4O3S/c1-4-22-17(13-6-7-13)20-21-18(22)26-11-16(23)19-10-12-5-8-14(24-2)15(9-12)25-3/h5,8-9,13H,4,6-7,10-11H2,1-3H3,(H,19,23)