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

Systemtic Name: N-(2-ethanoylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-acetylphenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-acetylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-acetylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-acetylphenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C18H18N4O2S2/c1-11(23)14-7-3-4-8-15(14)19-17(24)12(2)26-18-20-16(21-22-18)10-13-6-5-9-25-13/h3-9,12H,10H2,1-2H3,(H,19,24)(H,20,21,22)