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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-nitro-benzamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-nitro-benzamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-nitrobenzamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-nitrobenzamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-nitro-benzamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3S/c1-27-18-21-20-16(22(18)14-7-2-3-8-14)10-5-11-19-17(24)13-6-4-9-15(12-13)23(25)26/h4,6,9,12,14H,2-3,5,7-8,10-11H2,1H3,(H,19,24)