2-chloranyl-N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[5-(2,5-dimethylphenyl)thiazol-2-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[5-(2,5-dimethylphenyl)-2-thiazolyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[5-(2,5-dimethylphenyl)thiazol-2-yl]-5-nitro-benzamide Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O3S/c1-10-3-4-11(2)13(7-10)16-9-20-18(26-16)21-17(23)14-8-12(22(24)25)5-6-15(14)19/h3-9H,1-2H3,(H,20,21,23)