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

Systemtic Name: 2-(4-quinolin-2-yl-1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-[4-(2-quinolyl)-1,3-benzothiazol-2-yl]acetonitrile CAS Name: 2-[4-(2-quinolinyl)-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-(4-quinolin-2-yl-1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-[4-(2-quinolyl)-1,3-benzothiazol-2-yl]acetonitrile Formula: C18H11N3S MolecularWeight: 301.36504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=C4C(=CC=C3)SC(=N4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=C4C(=CC=C3)SC(=N4)CC#N

InChI

InChI=1S/C18H11N3S/c19-11-10-17-21-18-13(5-3-7-16(18)22-17)15-9-8-12-4-1-2-6-14(12)20-15/h1-9H,10H2