N-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NC=NN2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NC=NN2

InChI

InChI=1S/C13H16N4O3S/c1-8(21-13-14-7-15-17-13)12(18)16-9-4-5-10(19-2)11(6-9)20-3/h4-8H,1-3H3,(H,16,18)(H,14,15,17)