(4-butan-2-ylphenyl)-(5-nitro-2,1-benzothiazol-3-yl)diazene

Systemtic Name: (4-butan-2-ylphenyl)-(5-nitro-2,1-benzothiazol-3-yl)diazene Openeye Name: (5-nitro-2,1-benzothiazol-3-yl)-(4-sec-butylphenyl)diazene CAS Name: (4-butan-2-ylphenyl)-(5-nitro-2,1-benzothiazol-3-yl)diazene IUPAC Name: (4-butan-2-ylphenyl)-(5-nitro-2,1-benzothiazol-3-yl)diazene Traditional Name: (5-nitro-2,1-benzothiazol-3-yl)-(4-sec-butylphenyl)diazene Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-3-11(2)12-4-6-13(7-5-12)18-19-17-15-10-14(21(22)23)8-9-16(15)20-24-17/h4-11H,3H2,1-2H3