N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]-N-veratryl-propionamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H20N4O3S2/c1-11(27-18-20-16(21-22-18)15-5-4-8-26-15)17(23)19-10-12-6-7-13(24-2)14(9-12)25-3/h4-9,11H,10H2,1-3H3,(H,19,23)(H,20,21,22)