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2-[bis(fluoranyl)methyl]-4-cyclopentylsulfanyl-7-nitro-3H-benzimidazole-5-carbonitrile

2-[bis(fluoranyl)methyl]-4-cyclopentylsulfanyl-7-nitro-3H-benzimidazole-5-carbonitrile

Systemtic Name:2-[bis(fluoranyl)methyl]-4-cyclopentylsulfanyl-7-nitro-3H-benzimidazole-5-carbonitrile
Openeye Name:4-cyclopentylsulfanyl-2-(difluoromethyl)-7-nitro-3H-benzimidazole-5-carbonitrile
CAS Name:4-(cyclopentylthio)-2-(difluoromethyl)-7-nitro-3H-benzimidazole-5-carbonitrile
IUPAC Name:4-cyclopentylsulfanyl-2-(difluoromethyl)-7-nitro-3H-benzimidazole-5-carbonitrile
Traditional Name:4-(cyclopentylthio)-2-(difluoromethyl)-7-nitro-3H-benzimidazole-5-carbonitrile
Formula: C14H12F2N4O2S
MolecularWeight: 338.332486
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=C3C(=C(C=C2C#N)[N+](=O)[O-])N=C(N3)C(F)F


Isomeric SMILES

C1CCC(C1)SC2=C3C(=C(C=C2C#N)[N+](=O)[O-])N=C(N3)C(F)F


InChI

InChI=1S/C14H12F2N4O2S/c15-13(16)14-18-10-9(20(21)22)5-7(6-17)12(11(10)19-14)23-8-3-1-2-4-8/h5,8,13H,1-4H2,(H,18,19)


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