N-ethyl-7-nitro-N-phenyl-2,5-bis(trifluoromethyl)benzimidazole-1-carbothioamide

Systemtic Name: N-ethyl-7-nitro-N-phenyl-2,5-bis(trifluoromethyl)benzimidazole-1-carbothioamide Openeye Name: N-ethyl-7-nitro-N-phenyl-2,5-bis(trifluoromethyl)benzimidazole-1-carbothioamide CAS Name: N-ethyl-7-nitro-N-phenyl-2,5-bis(trifluoromethyl)-1-benzimidazolecarbothioamide IUPAC Name: N-ethyl-7-nitro-N-phenyl-2,5-bis(trifluoromethyl)benzimidazole-1-carbothioamide Traditional Name: N-ethyl-7-nitro-N-phenyl-2,5-bis(trifluoromethyl)benzimidazole-1-carbothioamide Formula: C18H12F6N4O2S MolecularWeight: 462.368899

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=S)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=S)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F

InChI

InChI=1S/C18H12F6N4O2S/c1-2-26(11-6-4-3-5-7-11)16(31)27-14-12(25-15(27)18(22,23)24)8-10(17(19,20)21)9-13(14)28(29)30/h3-9H,2H2,1H3