4-[1-(isothiocyanatomethyl)cyclopropyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[1-(isothiocyanatomethyl)cyclopropyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[1-(isothiocyanatomethyl)cyclopropyl]-3-nitro-benzonitrile CAS Name: 4-[1-(isothiocyanatomethyl)cyclopropyl]-3-nitrobenzonitrile IUPAC Name: 4-[1-(isothiocyanatomethyl)cyclopropyl]-3-nitrobenzonitrile Traditional Name: 4-[1-(isothiocyanatomethyl)cyclopropyl]-3-nitro-benzonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN=C=S)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC1(CN=C=S)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O2S/c13-6-9-1-2-10(11(5-9)15(16)17)12(3-4-12)7-14-8-18/h1-2,5H,3-4,7H2