3-[[(5-nitro-1,3-thiazol-2-yl)diazenyl]-phenethyl-amino]propanenitrile

Systemtic Name: 3-[[(5-nitro-1,3-thiazol-2-yl)diazenyl]-phenethyl-amino]propanenitrile Openeye Name: 3-[(5-nitrothiazol-2-yl)azo-phenethyl-amino]propanenitrile CAS Name: 3-[(5-nitro-2-thiazolyl)azo-phenethylamino]propanenitrile IUPAC Name: 3-[[(5-nitro-1,3-thiazol-2-yl)diazenyl]-phenethylamino]propanenitrile Traditional Name: 3-[(5-nitrothiazol-2-yl)azo-phenethyl-amino]propionitrile Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC#N)N=NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC#N)N=NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O2S/c15-8-4-9-19(10-7-12-5-2-1-3-6-12)18-17-14-16-11-13(23-14)20(21)22/h1-3,5-6,11H,4,7,9-10H2