3-isothiocyanatobenzenecarbonitrile

Systemtic Name: 3-isothiocyanatobenzenecarbonitrile Openeye Name: 3-isothiocyanatobenzonitrile CAS Name: 3-isothiocyanatobenzonitrile IUPAC Name: 3-isothiocyanatobenzonitrile Traditional Name: 3-isothiocyanatobenzonitrile Formula: C8H4N2S MolecularWeight: 160.19576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H