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

Systemtic Name: N-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]-5-(4-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-chloro-6-methoxy-pyrimidin-2-yl)thiocarbamoyl]-5-(4-nitrophenyl)-2-furamide Formula: C17H12ClN5O5S MolecularWeight: 433.82568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN5O5S/c1-27-14-8-13(18)19-16(20-14)22-17(29)21-15(24)12-7-6-11(28-12)9-2-4-10(5-3-9)23(25)26/h2-8H,1H3,(H2,19,20,21,22,24,29)