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

Systemtic Name: 3-[1,3-benzothiazol-2-yl(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[1,3-benzothiazol-2-yl(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[1,3-benzothiazol-2-yl(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[1,3-benzothiazol-2-yl(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[1,3-benzothiazol-2-yl(2-cyanoethyl)amino]propionitrile Formula: C13H12N4S MolecularWeight: 256.32618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(CCC#N)CCC#N

InChI

InChI=1S/C13H12N4S/c14-7-3-9-17(10-4-8-15)13-16-11-5-1-2-6-12(11)18-13/h1-2,5-6H,3-4,9-10H2