(E)-[azanyl-[4-[3-(2-chloranyl-6-methyl-4-nitro-phenyl)phenyl]sulfonyl-5-methylsulfanyl-thiophen-2-yl]methylidene]carbamic acid

Systemtic Name: (E)-[azanyl-[4-[3-(2-chloranyl-6-methyl-4-nitro-phenyl)phenyl]sulfonyl-5-methylsulfanyl-thiophen-2-yl]methylidene]carbamic acid Openeye Name: (E)-[amino-[4-[3-(2-chloro-6-methyl-4-nitro-phenyl)phenyl]sulfonyl-5-methylsulfanyl-2-thienyl]methylene]carbamic acid CAS Name: (E)-[amino-[4-[3-(2-chloro-6-methyl-4-nitrophenyl)phenyl]sulfonyl-5-(methylthio)-2-thiophenyl]methylidene]carbamic acid IUPAC Name: (E)-[amino-[4-[3-(2-chloro-6-methyl-4-nitrophenyl)phenyl]sulfonyl-5-methylsulfanylthiophen-2-yl]methylidene]carbamic acid Traditional Name: (E)-[amino-[4-[3-(2-chloro-6-methyl-4-nitro-phenyl)phenyl]sulfonyl-5-(methylthio)-2-thienyl]methylene]carbamic acid Formula: C20H16ClN3O6S3 MolecularWeight: 526.00554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=NC(=O)O)N)SC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)/C(=N\C(=O)O)/N)SC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O6S3/c1-10-6-12(24(27)28)8-14(21)17(10)11-4-3-5-13(7-11)33(29,30)16-9-15(32-19(16)31-2)18(22)23-20(25)26/h3-9H,1-2H3,(H2,22,23)(H,25,26)