N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: N-homoveratryl-2-(1H-1,2,4-triazol-5-ylthio)butyramide Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC=NN2

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC=NN2

InChI

InChI=1S/C16H22N4O3S/c1-4-14(24-16-18-10-19-20-16)15(21)17-8-7-11-5-6-12(22-2)13(9-11)23-3/h5-6,9-10,14H,4,7-8H2,1-3H3,(H,17,21)(H,18,19,20)