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

Systemtic Name: 3-[1,3-benzothiazol-2-ylsulfanyl(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[1,3-benzothiazol-2-ylsulfanyl(2-cyanoethyl)amino]propanenitrile CAS Name: N,N-bis(2-cyanoethyl)-1,3-benzothiazole-2-sulfenamide IUPAC Name: 3-[1,3-benzothiazol-2-ylsulfanyl(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)-(2-cyanoethyl)amino]propionitrile Formula: C13H12N4S2 MolecularWeight: 288.39118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4S2/c14-7-3-9-17(10-4-8-15)19-13-16-11-5-1-2-6-12(11)18-13/h1-2,5-6H,3-4,9-10H2