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

Systemtic Name: 1-[2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-3-[3-(methylthio)phenyl]thiourea Formula: C17H16F3N5O4S2 MolecularWeight: 475.46525

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)NCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)NCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N5O4S2/c1-31-12-4-2-3-11(9-12)23-16(30)22-6-5-21-15-13(24(26)27)7-10(17(18,19)20)8-14(15)25(28)29/h2-4,7-9,21H,5-6H2,1H3,(H2,22,23,30)