1,3-diisocyano-5-isothiocyanato-benzene

Systemtic Name: 1,3-diisocyano-5-isothiocyanato-benzene Openeye Name: 1,3-diisocyano-5-isothiocyanato-benzene CAS Name: 1,3-diisocyano-5-isothiocyanatobenzene IUPAC Name: 1,3-diisocyano-5-isothiocyanatobenzene Traditional Name: 1,3-diisocyano-5-isothiocyanato-benzene Formula: C9H3N3S MolecularWeight: 185.20522

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC(=CC(=C1)N=C=S)[N+]#[C-]

Isomeric SMILES

[C-]#[N+]C1=CC(=CC(=C1)N=C=S)[N+]#[C-]

InChI

InChI=1S/C9H3N3S/c1-10-7-3-8(11-2)5-9(4-7)12-6-13/h3-5H