4-[1-(1,3-benzothiazol-2-yl)ethylamino]-3-bromanyl-benzenecarbonitrile

Systemtic Name: 4-[1-(1,3-benzothiazol-2-yl)ethylamino]-3-bromanyl-benzenecarbonitrile Openeye Name: 4-[1-(1,3-benzothiazol-2-yl)ethylamino]-3-bromo-benzonitrile CAS Name: 4-[1-(1,3-benzothiazol-2-yl)ethylamino]-3-bromobenzonitrile IUPAC Name: 4-[1-(1,3-benzothiazol-2-yl)ethylamino]-3-bromobenzonitrile Traditional Name: 4-[1-(1,3-benzothiazol-2-yl)ethylamino]-3-bromo-benzonitrile Formula: C16H12BrN3S MolecularWeight: 358.25558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3S/c1-10(16-20-14-4-2-3-5-15(14)21-16)19-13-7-6-11(9-18)8-12(13)17/h2-8,10,19H,1H3