4-isocyanato-1,1-bis(isocyanatomethylsulfanyl)butane

Systemtic Name: 4-isocyanato-1,1-bis(isocyanatomethylsulfanyl)butane Openeye Name: 4-isocyanato-1,1-bis(isocyanatomethylsulfanyl)butane CAS Name: 4-isocyanato-1,1-bis(isocyanatomethylthio)butane IUPAC Name: 4-isocyanato-1,1-bis(isocyanatomethylsulfanyl)butane Traditional Name: 4-isocyanato-1,1-bis(isocyanatomethylthio)butane Formula: C9H11N3O3S2 MolecularWeight: 273.33194

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(SCN=C=O)SCN=C=O)CN=C=O

Isomeric SMILES

C(CC(SCN=C=O)SCN=C=O)CN=C=O

InChI

InChI=1S/C9H11N3O3S2/c13-4-10-3-1-2-9(16-7-11-5-14)17-8-12-6-15/h9H,1-3,7-8H2