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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-nitro-pyridin-2-amine Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-nitro-pyridin-2-amine CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-nitro-2-pyridinamine IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-nitropyridin-2-amine Traditional Name: 3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl-(3-nitro-2-pyridyl)amine Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O2S/c1-25-16-20-19-14(21(16)12-6-2-3-7-12)9-5-11-18-15-13(22(23)24)8-4-10-17-15/h4,8,10,12H,2-3,5-7,9,11H2,1H3,(H,17,18)