3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(2-cyanoethyl)amino]propionitrile Formula: C13H11BrN4S MolecularWeight: 335.22224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)N(CCC#N)CCC#N

InChI

InChI=1S/C13H11BrN4S/c14-10-3-4-11-12(9-10)19-13(17-11)18(7-1-5-15)8-2-6-16/h3-4,9H,1-2,7-8H2