2-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetonitrile Formula: C16H12N2OS MolecularWeight: 280.34428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2OS/c1-11-6-8-12(9-7-11)19-14(10-17)16-18-13-4-2-3-5-15(13)20-16/h2-9,14H,1H3