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

Systemtic Name: N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[2-(3-fluorophenyl)-4-methyl-thiazol-5-yl]ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[2-(3-fluorophenyl)-4-methyl-5-thiazolyl]ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[2-(3-fluorophenyl)-4-methyl-thiazol-5-yl]ethyl]-3-methyl-4-nitro-benzamide Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCC2=C(N=C(S2)C3=CC(=CC=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCC2=C(N=C(S2)C3=CC(=CC=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18FN3O3S/c1-12-10-14(6-7-17(12)24(26)27)19(25)22-9-8-18-13(2)23-20(28-18)15-4-3-5-16(21)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,22,25)