N-(4-ethylphenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-ethylphenyl)acetamide CAS Name: N-(4-ethylphenyl)-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetamide IUPAC Name: 2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(4-ethylphenyl)acetamide Traditional Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-ethylphenyl)acetamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS/c1-2-14-8-10-16(11-9-14)20-18(24)12-17-21-22-19(25)23(17)13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,24)(H,22,25)