(E)-3-(furan-2-yl)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C15H13N3O4S/c1-10-9-11(18(20)21)4-6-13(10)16-15(23)17-14(19)7-5-12-3-2-8-22-12/h2-9H,1H3,(H2,16,17,19,23)/b7-5+