N-[4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]furan-2-carboxamide

Systemtic Name: N-[4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]furan-2-carboxamide Openeye Name: N-[4-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]furan-2-carboxamide CAS Name: N-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide Traditional Name: N-[4-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]phenyl]-2-furamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H17N3O5S/c1-13-11-15(23(26)27)6-9-17(13)22-19(24)12-29-16-7-4-14(5-8-16)21-20(25)18-3-2-10-28-18/h2-11H,12H2,1H3,(H,21,25)(H,22,24)