N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O4S/c1-10-8-11(2)20-17(19-10)22-18(28)21-16(24)15-7-6-14(27-15)12-4-3-5-13(9-12)23(25)26/h3-9H,1-2H3,(H2,19,20,21,22,24,28)