2-isothiocyanato-3,3-dimethyl-2H-1-benzofuran-5-carbonitrile

Systemtic Name: 2-isothiocyanato-3,3-dimethyl-2H-1-benzofuran-5-carbonitrile Openeye Name: 2-isothiocyanato-3,3-dimethyl-2H-benzofuran-5-carbonitrile CAS Name: 2-isothiocyanato-3,3-dimethyl-2H-benzofuran-5-carbonitrile IUPAC Name: 2-isothiocyanato-3,3-dimethyl-2H-1-benzofuran-5-carbonitrile Traditional Name: 2-isothiocyanato-3,3-dimethyl-coumaran-5-carbonitrile Formula: C12H10N2OS MolecularWeight: 230.2856

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2=C1C=C(C=C2)C#N)N=C=S)C

Isomeric SMILES

CC1(C(OC2=C1C=C(C=C2)C#N)N=C=S)C

InChI

InChI=1S/C12H10N2OS/c1-12(2)9-5-8(6-13)3-4-10(9)15-11(12)14-7-16/h3-5,11H,1-2H3