4-[[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-bromanyl-6-methoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-bromanyl-6-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-bromo-6-methoxy-phenoxy]methyl]benzonitrile CAS Name: 4-[[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-bromo-6-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-bromo-6-methoxyphenoxy]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-bromo-6-methoxy-phenoxy]methyl]benzonitrile Formula: C23H17BrN4O2S MolecularWeight: 493.37568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)Br)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)Br)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17BrN4O2S/c1-29-20-11-17(13-26-28-23-27-19-4-2-3-5-21(19)31-23)10-18(24)22(20)30-14-16-8-6-15(12-25)7-9-16/h2-11,13H,14H2,1H3,(H,27,28)/b26-13+