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

Systemtic Name: 2-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: N-propyl-2-[[2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]acetamide CAS Name: 2-[[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-propylacetamide Traditional Name: N-propyl-2-[[2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]acetamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)C

Isomeric SMILES

CCCNC(=O)CNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N5O2S/c1-3-8-17-13(22)9-18-14(23)10-21-15(19-20-16(21)24)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,22)(H,18,23)(H,20,24)