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

Systemtic Name: N-(4-tert-butylphenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(4-tert-butylphenyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4-tert-butylphenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(4-tert-butylphenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(4-tert-butylphenyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C19H22N4OS2/c1-19(2,3)13-6-8-14(9-7-13)20-16(24)10-11-23-17(21-22-18(23)25)15-5-4-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,24)(H,22,25)