2,4-diisothiocyanatobenzenecarbonitrile

Systemtic Name: 2,4-diisothiocyanatobenzenecarbonitrile Openeye Name: 2,4-diisothiocyanatobenzonitrile CAS Name: 2,4-diisothiocyanatobenzonitrile IUPAC Name: 2,4-diisothiocyanatobenzonitrile Traditional Name: 2,4-diisothiocyanatobenzonitrile Formula: C9H3N3S2 MolecularWeight: 217.27022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=C=S)N=C=S)C#N

Isomeric SMILES

C1=CC(=C(C=C1N=C=S)N=C=S)C#N

InChI

InChI=1S/C9H3N3S2/c10-4-7-1-2-8(11-5-13)3-9(7)12-6-14/h1-3H