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S-(6-nitro-1H-benzimidazol-2-yl) cyclohexanecarbothioate

S-(6-nitro-1H-benzimidazol-2-yl) cyclohexanecarbothioate

Systemtic Name:S-(6-nitro-1H-benzimidazol-2-yl) cyclohexanecarbothioate
Openeye Name:S-(6-nitro-1H-benzimidazol-2-yl) cyclohexanecarbothioate
CAS Name:cyclohexanecarbothioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester
IUPAC Name:S-(6-nitro-1H-benzimidazol-2-yl) cyclohexanecarbothioate
Traditional Name:cyclohexanecarbothioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester
Formula: C14H15N3O3S
MolecularWeight: 305.3522
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1CCC(CC1)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C14H15N3O3S/c18-13(9-4-2-1-3-5-9)21-14-15-11-7-6-10(17(19)20)8-12(11)16-14/h6-9H,1-5H2,(H,15,16)


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