2-[(E)-azanyldiazenyl]-N-octyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboximidate

Systemtic Name: 2-[(E)-azanyldiazenyl]-N-octyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboximidate Openeye Name: 2-[(E)-aminoazo]-N-octyl-1,1,3-trioxo-1,2-benzothiazole-6-carboximidate CAS Name: 2-[(E)-aminoazo]-N-octyl-1,1,3-trioxo-1,2-benzothiazole-6-carboximidate IUPAC Name: 2-[(E)-aminodiazenyl]-N-octyl-1,1,3-trioxo-1,2-benzothiazole-6-carboximidate Traditional Name: 2-[(E)-aminoazo]-1,1,3-triketo-N-octyl-1,2-benzothiazole-6-carboximidate Formula: C16H22N5O4S- MolecularWeight: 380.44198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN=C(C1=CC2=C(C=C1)C(=O)N(S2(=O)=O)N=NN)[O-]

Isomeric SMILES

CCCCCCCCN=C(C1=CC2=C(C=C1)C(=O)N(S2(=O)=O)/N=N/N)[O-]

InChI

InChI=1S/C16H23N5O4S/c1-2-3-4-5-6-7-10-18-15(22)12-8-9-13-14(11-12)26(24,25)21(16(13)23)20-19-17/h8-9,11H,2-7,10H2,1H3,(H2,17,20)(H,18,22)/p-1