6-isothiocyanato-5,8-dimethyl-quinoline-4-carbonitrile

Systemtic Name: 6-isothiocyanato-5,8-dimethyl-quinoline-4-carbonitrile Openeye Name: 6-isothiocyanato-5,8-dimethyl-quinoline-4-carbonitrile CAS Name: 6-isothiocyanato-5,8-dimethyl-4-quinolinecarbonitrile IUPAC Name: 6-isothiocyanato-5,8-dimethylquinoline-4-carbonitrile Traditional Name: 6-isothiocyanato-5,8-dimethyl-cinchoninonitrile Formula: C13H9N3S MolecularWeight: 239.29566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C(C=CN=C12)C#N)C)N=C=S

Isomeric SMILES

CC1=CC(=C(C2=C(C=CN=C12)C#N)C)N=C=S

InChI

InChI=1S/C13H9N3S/c1-8-5-11(16-7-17)9(2)12-10(6-14)3-4-15-13(8)12/h3-5H,1-2H3