4-nitro-N,N-dipropyl-5-sulfanyl-2,6-bis(trifluoromethyl)benzimidazole-1-carboxamide

Systemtic Name: 4-nitro-N,N-dipropyl-5-sulfanyl-2,6-bis(trifluoromethyl)benzimidazole-1-carboxamide Openeye Name: 4-nitro-N,N-dipropyl-5-sulfanyl-2,6-bis(trifluoromethyl)benzimidazole-1-carboxamide CAS Name: 5-mercapto-4-nitro-N,N-dipropyl-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxamide IUPAC Name: 4-nitro-N,N-dipropyl-5-sulfanyl-2,6-bis(trifluoromethyl)benzimidazole-1-carboxamide Traditional Name: 5-mercapto-4-nitro-N,N-dipropyl-2,6-bis(trifluoromethyl)benzimidazole-1-carboxamide Formula: C16H16F6N4O3S MolecularWeight: 458.378659

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)N1C2=C(C(=C(C(=C2)C(F)(F)F)S)[N+](=O)[O-])N=C1C(F)(F)F

Isomeric SMILES

CCCN(CCC)C(=O)N1C2=C(C(=C(C(=C2)C(F)(F)F)S)[N+](=O)[O-])N=C1C(F)(F)F

InChI

InChI=1S/C16H16F6N4O3S/c1-3-5-24(6-4-2)14(27)25-9-7-8(15(17,18)19)12(30)11(26(28)29)10(9)23-13(25)16(20,21)22/h7,30H,3-6H2,1-2H3