3-[(4-azanyl-1,3-benzothiazol-5-yl)-methyl-amino]propanenitrile

Systemtic Name: 3-[(4-azanyl-1,3-benzothiazol-5-yl)-methyl-amino]propanenitrile Openeye Name: 3-[(4-amino-1,3-benzothiazol-5-yl)-methyl-amino]propanenitrile CAS Name: 3-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]propanenitrile IUPAC Name: 3-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]propanenitrile Traditional Name: 3-[(4-amino-1,3-benzothiazol-5-yl)-methyl-amino]propionitrile Formula: C11H12N4S MolecularWeight: 232.30478

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C2=C(C=C1)SC=N2)N

Isomeric SMILES

CN(CCC#N)C1=C(C2=C(C=C1)SC=N2)N

InChI

InChI=1S/C11H12N4S/c1-15(6-2-5-12)8-3-4-9-11(10(8)13)14-7-16-9/h3-4,7H,2,6,13H2,1H3