5-[2-ethanoyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[2-ethanoyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[1-acetyl-5-(4-methoxyphenyl)-2-pyrazolin-3-yl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2C(=O)NC(=S)NC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2C(=O)NC(=S)NC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H16N4O4S/c1-8(21)20-12(9-3-5-10(24-2)6-4-9)7-11(19-20)13-14(22)17-16(25)18-15(13)23/h3-6,12-13H,7H2,1-2H3,(H2,17,18,22,23,25)