N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-fluoranyl-3-nitro-benzamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-fluoranyl-3-nitro-benzamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-fluoro-3-nitro-benzamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-fluoro-3-nitrobenzamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-fluoro-3-nitrobenzamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-fluoro-3-nitro-benzamide Formula: C18H22FN5O3S MolecularWeight: 407.462383

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN5O3S/c1-28-18-22-21-16(23(18)13-5-2-3-6-13)7-4-10-20-17(25)12-8-9-14(19)15(11-12)24(26)27/h8-9,11,13H,2-7,10H2,1H3,(H,20,25)