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

Systemtic Name: N-[(4-chloranyl-6-methyl-pyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-chloro-6-methyl-pyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(4-chloro-6-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-5-(4-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-chloro-6-methylpyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-chloro-6-methyl-pyrimidin-2-yl)thiocarbamoyl]-5-(4-nitrophenyl)-2-furamide Formula: C17H12ClN5O4S MolecularWeight: 417.82628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN5O4S/c1-9-8-14(18)20-16(19-9)22-17(28)21-15(24)13-7-6-12(27-13)10-2-4-11(5-3-10)23(25)26/h2-8H,1H3,(H2,19,20,21,22,24,28)