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

Systemtic Name: (E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-[5-(3-chloro-4-methylphenyl)-2-furanyl]-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C21H16ClN3O5S MolecularWeight: 457.88684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C21H16ClN3O5S/c1-12-2-3-13(10-16(12)22)19-8-5-15(30-19)6-9-20(27)24-21(31)23-17-11-14(25(28)29)4-7-18(17)26/h2-11,26H,1H3,(H2,23,24,27,31)/b9-6+