1-isocyanato-3-isothiocyanato-cyclohexane

Systemtic Name: 1-isocyanato-3-isothiocyanato-cyclohexane Openeye Name: 1-isocyanato-3-isothiocyanato-cyclohexane CAS Name: 1-isocyanato-3-isothiocyanatocyclohexane IUPAC Name: 1-isocyanato-3-isothiocyanatocyclohexane Traditional Name: 1-isocyanato-3-isothiocyanato-cyclohexane Formula: C8H10N2OS MolecularWeight: 182.2428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)N=C=S)N=C=O

Isomeric SMILES

C1CC(CC(C1)N=C=S)N=C=O

InChI

InChI=1S/C8H10N2OS/c11-5-9-7-2-1-3-8(4-7)10-6-12/h7-8H,1-4H2