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

Systemtic Name: 3-[[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]-(3-phenylpropyl)amino]propanenitrile Openeye Name: 3-[4-(5-nitrothiazol-2-yl)azo-N-(3-phenylpropyl)anilino]propanenitrile CAS Name: 3-[4-[(5-nitro-2-thiazolyl)azo]-N-(3-phenylpropyl)anilino]propanenitrile IUPAC Name: 3-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(3-phenylpropyl)anilino]propanenitrile Traditional Name: 3-[4-(5-nitrothiazol-2-yl)azo-N-(3-phenylpropyl)anilino]propionitrile Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O2S/c22-13-5-15-26(14-4-8-17-6-2-1-3-7-17)19-11-9-18(10-12-19)24-25-21-23-16-20(30-21)27(28)29/h1-3,6-7,9-12,16H,4-5,8,14-15H2