2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ethanenitrile Openeye Name: 2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile CAS Name: 2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile IUPAC Name: 2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile Traditional Name: 2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile Formula: C14H12N2OS MolecularWeight: 256.32288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)CC#N

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)CC#N

InChI

InChI=1S/C14H12N2OS/c1-17-10-3-4-11-9(8-10)2-5-12-14(11)16-13(18-12)6-7-15/h3-4,8H,2,5-6H2,1H3