2-[4-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile Formula: C18H13ClN2O2S MolecularWeight: 356.82602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=C(S2)C=CC(=C3)Cl)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)Cl)OCC#N

InChI

InChI=1S/C18H13ClN2O2S/c1-22-16-10-12(2-5-15(16)23-9-8-20)3-7-18-21-14-11-13(19)4-6-17(14)24-18/h2-7,10-11H,9H2,1H3/b7-3+