N-[[4,6-bis(chloranyl)pyrimidin-2-yl]carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[4,6-bis(chloranyl)pyrimidin-2-yl]carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4,6-dichloropyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(4,6-dichloro-2-pyrimidinyl)amino]-sulfanylidenemethyl]-5-(4-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4,6-dichloropyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4,6-dichloropyrimidin-2-yl)thiocarbamoyl]-5-(4-nitrophenyl)-2-furamide Formula: C16H9Cl2N5O4S MolecularWeight: 438.24476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=NC(=CC(=N3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=NC(=CC(=N3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H9Cl2N5O4S/c17-12-7-13(18)20-15(19-12)22-16(28)21-14(24)11-6-5-10(27-11)8-1-3-9(4-2-8)23(25)26/h1-7H,(H2,19,20,21,22,24,28)