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

Systemtic Name: 3-[[4-(1,3-benzothiazol-6-yldiazenyl)phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[4-(1,3-benzothiazol-6-ylazo)-N-methyl-anilino]propanenitrile CAS Name: 3-[4-(1,3-benzothiazol-6-ylazo)-N-methylanilino]propanenitrile IUPAC Name: 3-[4-(1,3-benzothiazol-6-yldiazenyl)-N-methylanilino]propanenitrile Traditional Name: 3-[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5S/c1-22(10-2-9-18)15-6-3-13(4-7-15)20-21-14-5-8-16-17(11-14)23-12-19-16/h3-8,11-12H,2,10H2,1H3