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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-methoxy-5-nitro-benzamide Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCCC2=NN=C(N2C3CCCC3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCCC2=NN=C(N2C3CCCC3)SC

InChI

InChI=1S/C19H25N5O4S/c1-28-16-10-9-14(24(26)27)12-15(16)18(25)20-11-5-8-17-21-22-19(29-2)23(17)13-6-3-4-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,20,25)