2-(1H-imidazol-5-ylmethyl)-4,5-dihydrobenzo[e][1,3]benzothiazole-8-carbonitrile

Systemtic Name: 2-(1H-imidazol-5-ylmethyl)-4,5-dihydrobenzo[e][1,3]benzothiazole-8-carbonitrile Openeye Name: 2-(1H-imidazol-5-ylmethyl)-4,5-dihydrobenzo[e][1,3]benzothiazole-8-carbonitrile CAS Name: 2-(1H-imidazol-5-ylmethyl)-4,5-dihydrobenzo[e][1,3]benzothiazole-8-carbonitrile IUPAC Name: 2-(1H-imidazol-5-ylmethyl)-4,5-dihydrobenzo[e][1,3]benzothiazole-8-carbonitrile Traditional Name: 2-(1H-imidazol-5-ylmethyl)-4,5-dihydrobenzo[e][1,3]benzothiazole-8-carbonitrile Formula: C16H12N4S MolecularWeight: 292.35828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=CC(=C3)C#N)N=C(S2)CC4=CN=CN4

Isomeric SMILES

C1CC2=C(C3=C1C=CC(=C3)C#N)N=C(S2)CC4=CN=CN4

InChI

InChI=1S/C16H12N4S/c17-7-10-1-2-11-3-4-14-16(13(11)5-10)20-15(21-14)6-12-8-18-9-19-12/h1-2,5,8-9H,3-4,6H2,(H,18,19)