N-[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[4-(3-chloro-4-methoxyphenyl)-2-thiazolyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-4-(methylthio)-3-nitro-benzamide Formula: C18H14ClN3O4S2 MolecularWeight: 435.90446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O4S2/c1-26-15-5-3-10(7-12(15)19)13-9-28-18(20-13)21-17(23)11-4-6-16(27-2)14(8-11)22(24)25/h3-9H,1-2H3,(H,20,21,23)