5-methyl-2,4-dinitro-3-(pentylamino)-6-(trifluoromethyl)benzenethiol

Systemtic Name: 5-methyl-2,4-dinitro-3-(pentylamino)-6-(trifluoromethyl)benzenethiol Openeye Name: 5-methyl-2,4-dinitro-3-(pentylamino)-6-(trifluoromethyl)benzenethiol CAS Name: 5-methyl-2,4-dinitro-3-(pentylamino)-6-(trifluoromethyl)benzenethiol IUPAC Name: 5-methyl-2,4-dinitro-3-(pentylamino)-6-(trifluoromethyl)benzenethiol Traditional Name: 3-(amylamino)-5-methyl-2,4-dinitro-6-(trifluoromethyl)benzenethiol Formula: C13H16F3N3O4S MolecularWeight: 367.34405

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=C(C(=C1[N+](=O)[O-])S)C(F)(F)F)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C(=C(C(=C1[N+](=O)[O-])S)C(F)(F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16F3N3O4S/c1-3-4-5-6-17-9-10(18(20)21)7(2)8(13(14,15)16)12(24)11(9)19(22)23/h17,24H,3-6H2,1-2H3