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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 1-morpholino-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 1-morpholino-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCOCC3

InChI

InChI=1S/C16H20N4O2S/c1-12-3-2-4-13(11-12)15-17-18-16(23)20(15)6-5-14(21)19-7-9-22-10-8-19/h2-4,11H,5-10H2,1H3,(H,18,23)