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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2,4-dinitro-aniline Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2,4-dinitro-aniline CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2,4-dinitroaniline IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2,4-dinitroaniline Traditional Name: 3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl-(2,4-dinitrophenyl)amine Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4S/c1-28-17-20-19-16(21(17)12-5-2-3-6-12)7-4-10-18-14-9-8-13(22(24)25)11-15(14)23(26)27/h8-9,11-12,18H,2-7,10H2,1H3