5-[(3-chloranyl-4-prop-2-ynoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-chloranyl-4-prop-2-ynoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-chloro-4-prop-2-ynoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-chloro-4-propargyloxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H9ClN2O3S MolecularWeight: 320.75086

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)Cl

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)Cl

InChI

InChI=1S/C14H9ClN2O3S/c1-2-5-20-11-4-3-8(7-10(11)15)6-9-12(18)16-14(21)17-13(9)19/h1,3-4,6-7H,5H2,(H2,16,17,18,19,21)