N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-fluoranyl-4-methyl-5-nitro-benzamide

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-fluoranyl-4-methyl-5-nitro-benzamide Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-fluoro-4-methyl-5-nitro-benzamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-fluoro-4-methyl-5-nitrobenzamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-fluoro-4-methyl-5-nitrobenzamide Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-fluoro-4-methyl-5-nitro-benzamide Formula: C13H11FN4O3S MolecularWeight: 322.314843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C13H11FN4O3S/c1-6-9(14)4-8(5-10(6)18(20)21)11(19)15-13-17-16-12(22-13)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,15,17,19)