(E)-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(2,4-dichlorobenzyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C17H13Cl2N3O3S MolecularWeight: 410.27442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H13Cl2N3O3S/c18-13-6-5-12(15(19)9-13)10-20-17(26)21-16(23)7-4-11-2-1-3-14(8-11)22(24)25/h1-9H,10H2,(H2,20,21,23,26)/b7-4+