N-(2,6-diethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H20N4OS2/c1-3-12-7-5-8-13(4-2)16(12)19-15(23)11-25-18-20-17(21-22-18)14-9-6-10-24-14/h5-10H,3-4,11H2,1-2H3,(H,19,23)(H,20,21,22)