N-(4-tert-butylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

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