1-(2-methylmorpholin-4-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one

Systemtic Name: 1-(2-methylmorpholin-4-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Openeye Name: 1-(2-methylmorpholin-4-yl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-(2-methyl-4-morpholinyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-(2-methylmorpholin-4-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Traditional Name: 1-(2-methylmorpholino)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CN(CCO1)C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H22N4O2S/c1-12-3-5-14(6-4-12)16-18-19-17(24)21(16)8-7-15(22)20-9-10-23-13(2)11-20/h3-6,13H,7-11H2,1-2H3,(H,19,24)