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

Systemtic Name: N-[(4-chloranyl-6-ethoxy-pyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-chloro-6-ethoxy-pyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(4-chloro-6-ethoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]-5-(4-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-chloro-6-ethoxypyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-chloro-6-ethoxy-pyrimidin-2-yl)thiocarbamoyl]-5-(4-nitrophenyl)-2-furamide Formula: C18H14ClN5O5S MolecularWeight: 447.85226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN5O5S/c1-2-28-15-9-14(19)20-17(21-15)23-18(30)22-16(25)13-8-7-12(29-13)10-3-5-11(6-4-10)24(26)27/h3-9H,2H2,1H3,(H2,20,21,22,23,25,30)