3-[[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]-phenethyl-amino]propanenitrile

Systemtic Name: 3-[[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]-phenethyl-amino]propanenitrile Openeye Name: 3-[4-(5-nitrothiazol-2-yl)azo-N-phenethyl-anilino]propanenitrile CAS Name: 3-[4-[(5-nitro-2-thiazolyl)azo]-N-phenethylanilino]propanenitrile IUPAC Name: 3-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-phenethylanilino]propanenitrile Traditional Name: 3-[4-(5-nitrothiazol-2-yl)azo-N-phenethyl-anilino]propionitrile Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O2S/c21-12-4-13-25(14-11-16-5-2-1-3-6-16)18-9-7-17(8-10-18)23-24-20-22-15-19(29-20)26(27)28/h1-3,5-10,15H,4,11,13-14H2