N-butyl-3-methyl-N-[(E)-(5-nitro-2,1-benzothiazol-3-yl)diazenyl]aniline

Systemtic Name: N-butyl-3-methyl-N-[(E)-(5-nitro-2,1-benzothiazol-3-yl)diazenyl]aniline Openeye Name: N-butyl-3-methyl-N-[(E)-(5-nitro-2,1-benzothiazol-3-yl)azo]aniline CAS Name: N-butyl-3-methyl-N-[(E)-(5-nitro-2,1-benzothiazol-3-yl)azo]aniline IUPAC Name: N-butyl-3-methyl-N-[(E)-(5-nitro-2,1-benzothiazol-3-yl)diazenyl]aniline Traditional Name: butyl-(m-tolyl)-[(E)-(5-nitro-2,1-benzothiazol-3-yl)azo]amine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN(C1=CC=CC(=C1)C)/N=N/C2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2S/c1-3-4-10-22(14-7-5-6-13(2)11-14)21-19-18-16-12-15(23(24)25)8-9-17(16)20-26-18/h5-9,11-12H,3-4,10H2,1-2H3/b21-19+