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2-[(4-azanyl-1,3-benzothiazol-5-yl)-(cyanomethyl)amino]ethanenitrile

2-[(4-azanyl-1,3-benzothiazol-5-yl)-(cyanomethyl)amino]ethanenitrile

Systemtic Name:2-[(4-azanyl-1,3-benzothiazol-5-yl)-(cyanomethyl)amino]ethanenitrile
Openeye Name:2-[(4-amino-1,3-benzothiazol-5-yl)-(cyanomethyl)amino]acetonitrile
CAS Name:2-[(4-amino-1,3-benzothiazol-5-yl)-(cyanomethyl)amino]acetonitrile
IUPAC Name:2-[(4-amino-1,3-benzothiazol-5-yl)-(cyanomethyl)amino]acetonitrile
Traditional Name:2-[(4-amino-1,3-benzothiazol-5-yl)-(cyanomethyl)amino]acetonitrile
Formula: C11H9N5S
MolecularWeight: 243.28766
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1N(CC#N)CC#N)N)N=CS2


Isomeric SMILES

C1=CC2=C(C(=C1N(CC#N)CC#N)N)N=CS2


InChI

InChI=1S/C11H9N5S/c12-3-5-16(6-4-13)8-1-2-9-11(10(8)14)15-7-17-9/h1-2,7H,5-6,14H2


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