5-[1-(1,3-benzothiazol-2-yl)ethylamino]-2-chloranyl-benzenecarbonitrile

Systemtic Name: 5-[1-(1,3-benzothiazol-2-yl)ethylamino]-2-chloranyl-benzenecarbonitrile Openeye Name: 5-[1-(1,3-benzothiazol-2-yl)ethylamino]-2-chloro-benzonitrile CAS Name: 5-[1-(1,3-benzothiazol-2-yl)ethylamino]-2-chlorobenzonitrile IUPAC Name: 5-[1-(1,3-benzothiazol-2-yl)ethylamino]-2-chlorobenzonitrile Traditional Name: 5-[1-(1,3-benzothiazol-2-yl)ethylamino]-2-chloro-benzonitrile Formula: C16H12ClN3S MolecularWeight: 313.80458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)NC3=CC(=C(C=C3)Cl)C#N

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)NC3=CC(=C(C=C3)Cl)C#N

InChI

InChI=1S/C16H12ClN3S/c1-10(16-20-14-4-2-3-5-15(14)21-16)19-12-6-7-13(17)11(8-12)9-18/h2-8,10,19H,1H3