N-[(4-methylphenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(p-tolylmethyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-methylbenzyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C16H16N4OS2/c1-11-4-6-12(7-5-11)9-17-14(21)10-20-15(18-19-16(20)22)13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,21)(H,19,22)