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1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-methyl-thiourea

1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-methyl-thiourea

Systemtic Name:1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-methyl-thiourea
Openeye Name:1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methyl-thiourea
CAS Name:1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methylthiourea
IUPAC Name:1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methylthiourea
Traditional Name:1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methyl-thiourea
Formula: C9H8F3N5O4S
MolecularWeight: 339.25113
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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

CNC(=S)NNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C9H8F3N5O4S/c1-13-8(22)15-14-7-5(16(18)19)2-4(9(10,11)12)3-6(7)17(20)21/h2-3,14H,1H3,(H2,13,15,22)


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