N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O4S/c1-11-3-4-13(9-12(11)2)17-7-8-18(28-17)19(25)23-20(29)22-16-6-5-14(24(26)27)10-15(16)21/h3-10H,1-2H3,(H2,22,23,25,29)