2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)ethanenitrile Openeye Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetonitrile CAS Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetonitrile IUPAC Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetonitrile Traditional Name: 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetonitrile Formula: C15H14N2S MolecularWeight: 254.35006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C3=CC=CC=C31)N=C(S2)CC#N)C

Isomeric SMILES

CC1(CC2=C(C3=CC=CC=C31)N=C(S2)CC#N)C

InChI

InChI=1S/C15H14N2S/c1-15(2)9-12-14(17-13(18-12)7-8-16)10-5-3-4-6-11(10)15/h3-6H,7,9H2,1-2H3