2-(1,3-benzothiazol-2-yl)-5-(3-methylphenoxy)-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(3-methylphenoxy)-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(3-methylphenoxy)-3-oxo-pentanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(3-methylphenoxy)-3-oxopentanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(3-methylphenoxy)-3-oxopentanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-5-(3-methylphenoxy)valeronitrile Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H16N2O2S/c1-13-5-4-6-14(11-13)23-10-9-17(22)15(12-20)19-21-16-7-2-3-8-18(16)24-19/h2-8,11,15H,9-10H2,1H3