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

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3-methyl-4-nitro-benzamide Formula: C18H14BrN3O4S MolecularWeight: 448.29046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrN3O4S/c1-10-7-12(3-5-15(10)22(24)25)17(23)21-18-20-14(9-27-18)11-4-6-16(26-2)13(19)8-11/h3-9H,1-2H3,(H,20,21,23)