benzotriazol-1-yl-(5-octoxy-1-benzothiophen-2-yl)methanone

Systemtic Name: benzotriazol-1-yl-(5-octoxy-1-benzothiophen-2-yl)methanone Openeye Name: benzotriazol-1-yl-(5-octoxybenzothiophen-2-yl)methanone CAS Name: 1-benzotriazolyl-(5-octoxy-1-benzothiophen-2-yl)methanone IUPAC Name: benzotriazol-1-yl-(5-octoxy-1-benzothiophen-2-yl)methanone Traditional Name: benzotriazol-1-yl-(5-octoxybenzothiophen-2-yl)methanone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)SC(=C2)C(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)SC(=C2)C(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H25N3O2S/c1-2-3-4-5-6-9-14-28-18-12-13-21-17(15-18)16-22(29-21)23(27)26-20-11-8-7-10-19(20)24-25-26/h7-8,10-13,15-16H,2-6,9,14H2,1H3