N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-(methylthio)-3-nitro-benzamide Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S2/c1-26-12-5-6-16(27-2)13(9-12)14-10-29-19(20-14)21-18(23)11-4-7-17(28-3)15(8-11)22(24)25/h4-10H,1-3H3,(H,20,21,23)