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

Systemtic Name: 2-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-propyl-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(=CC=C2)C

Isomeric SMILES

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

InChI

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