3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]benzenecarbonitrile

Systemtic Name: 3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]benzenecarbonitrile Openeye Name: 3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]benzonitrile CAS Name: 3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]benzonitrile IUPAC Name: 3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]benzonitrile Traditional Name: 3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]benzonitrile Formula: C17H15N3S MolecularWeight: 293.3861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C#N)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC=CC(=C1)C#N)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15N3S/c1-12(14-6-4-5-13(9-14)10-18)19-11-17-20-15-7-2-3-8-16(15)21-17/h2-9,12,19H,11H2,1H3