1-(4-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-5-(4-propargyloxybenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H13BrN2O3S MolecularWeight: 441.29782

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H13BrN2O3S/c1-2-11-26-16-9-3-13(4-10-16)12-17-18(24)22-20(27)23(19(17)25)15-7-5-14(21)6-8-15/h1,3-10,12H,11H2,(H,22,24,27)