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

Systemtic Name: 2-chloranyl-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-nitro-aniline CAS Name: 2-chloro-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]amine Formula: C17H22ClN5O2S MolecularWeight: 395.90688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN5O2S/c1-26-17-21-20-16(22(17)12-5-2-3-6-12)7-4-10-19-15-9-8-13(23(24)25)11-14(15)18/h8-9,11-12,19H,2-7,10H2,1H3