2-[[5-(4,5-dimethylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(4,5-dimethylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(4,5-dimethyl-3-thienyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(4,5-dimethyl-3-thiophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(4,5-dimethylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(4,5-dimethyl-3-thienyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CSC(=C3C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CSC(=C3C)C

InChI

InChI=1S/C21H26N4OS2/c1-4-12-25-20(18-13-27-16(3)15(18)2)23-24-21(25)28-14-19(26)22-11-10-17-8-6-5-7-9-17/h5-9,13H,4,10-12,14H2,1-3H3,(H,22,26)