2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyliminomethyl]-4-nitro-phenolate CAS Name: 2-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyliminomethyl]-4-nitrophenolate Traditional Name: 2-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyliminomethyl]-4-nitro-phenolate Formula: C18H22N5O3S- MolecularWeight: 388.46398

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H23N5O3S/c1-27-18-21-20-17(22(18)14-5-2-3-6-14)7-4-10-19-12-13-11-15(23(25)26)8-9-16(13)24/h8-9,11-12,14,24H,2-7,10H2,1H3/p-1