(E)-3-(4-chloranyl-3-nitro-phenyl)-N-[(5-iodanylpyridin-2-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-[(5-iodanylpyridin-2-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[(5-iodo-2-pyridyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[(5-iodopyridin-2-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[(5-iodo-2-pyridyl)thiocarbamoyl]acrylamide Formula: C15H10ClIN4O3S MolecularWeight: 488.68737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)NC(=S)NC2=NC=C(C=C2)I)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)NC(=S)NC2=NC=C(C=C2)I)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H10ClIN4O3S/c16-11-4-1-9(7-12(11)21(23)24)2-6-14(22)20-15(25)19-13-5-3-10(17)8-18-13/h1-8H,(H2,18,19,20,22,25)/b6-2+