N-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]-4-nitro-benzamide Formula: C22H17FN4O3S MolecularWeight: 436.458783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN4O3S/c1-13-11-19(14(2)26(13)17-9-5-16(23)6-10-17)20-12-31-22(24-20)25-21(28)15-3-7-18(8-4-15)27(29)30/h3-12H,1-2H3,(H,24,25,28)