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2-[[4-(1,3-benzothiazol-6-yldiazenyl)phenyl]-methyl-amino]propanenitrile

2-[[4-(1,3-benzothiazol-6-yldiazenyl)phenyl]-methyl-amino]propanenitrile

Systemtic Name:2-[[4-(1,3-benzothiazol-6-yldiazenyl)phenyl]-methyl-amino]propanenitrile
Openeye Name:2-[4-(1,3-benzothiazol-6-ylazo)-N-methyl-anilino]propanenitrile
CAS Name:2-[4-(1,3-benzothiazol-6-ylazo)-N-methylanilino]propanenitrile
IUPAC Name:2-[4-(1,3-benzothiazol-6-yldiazenyl)-N-methylanilino]propanenitrile
Traditional Name:2-[4-(1,3-benzothiazol-6-ylazo)-N-methyl-anilino]propionitrile
Formula: C17H15N5S
MolecularWeight: 321.3995
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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N(C)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=CS3


Isomeric SMILES

CC(C#N)N(C)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=CS3


InChI

InChI=1S/C17H15N5S/c1-12(10-18)22(2)15-6-3-13(4-7-15)20-21-14-5-8-16-17(9-14)23-11-19-16/h3-9,11-12H,1-2H3


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