(5-octoxy-1-benzothiophen-2-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: (5-octoxy-1-benzothiophen-2-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: (5-octoxybenzothiophen-2-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: (5-octoxy-1-benzothiophen-2-yl)-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: (5-octoxy-1-benzothiophen-2-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: (5-octoxybenzothiophen-2-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)SC(=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)SC(=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C23H25N3O3S/c1-2-3-4-5-6-9-14-29-18-12-13-21-17(15-18)16-22(30-21)23(27)25-19-10-7-8-11-20(19)26(28)24-25/h7-8,10-13,15-16H,2-6,9,14H2,1H3