1-butan-2-yl-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-butan-2-yl-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-phenylpyrazol-4-yl)methylene]-1-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butan-2-yl-5-[(1-phenyl-4-pyrazolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butan-2-yl-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-phenylpyrazol-4-yl)methylene]-1-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C(=O)NC1=S

Isomeric SMILES

CCC(C)N1C(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C(=O)NC1=S

InChI

InChI=1S/C18H18N4O2S/c1-3-12(2)22-17(24)15(16(23)20-18(22)25)9-13-10-19-21(11-13)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,20,23,25)