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

Systemtic Name: N-(4-ethylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-ethylphenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-ethylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-ethylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-ethylphenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C18H20N4OS2/c1-3-13-6-8-14(9-7-13)19-17(23)12(2)25-18-20-16(21-22-18)11-15-5-4-10-24-15/h4-10,12H,3,11H2,1-2H3,(H,19,23)(H,20,21,22)