N-(2-bromophenyl)-2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[[5-cyano-6-(2-furyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[[5-cyano-6-(2-furanyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(2-bromophenyl)-2-[[5-cyano-6-(2-furyl)-4-keto-1H-pyrimidin-2-yl]thio]acetamide Formula: C17H11BrN4O3S MolecularWeight: 431.26324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N)Br

InChI

InChI=1S/C17H11BrN4O3S/c18-11-4-1-2-5-12(11)20-14(23)9-26-17-21-15(13-6-3-7-25-13)10(8-19)16(24)22-17/h1-7H,9H2,(H,20,23)(H,21,22,24)