3,5-diisothiocyanatobenzenecarbonitrile

Systemtic Name: 3,5-diisothiocyanatobenzenecarbonitrile Openeye Name: 3,5-diisothiocyanatobenzonitrile CAS Name: 3,5-diisothiocyanatobenzonitrile IUPAC Name: 3,5-diisothiocyanatobenzonitrile Traditional Name: 3,5-diisothiocyanatobenzonitrile Formula: C9H3N3S2 MolecularWeight: 217.27022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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