(E)-2-(1,3-benzothiazol-2-yl)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-bromo-4,5-dimethoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-bromo-4,5-dimethoxy-phenyl)acrylonitrile Formula: C18H13BrN2O2S MolecularWeight: 401.27702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)Br)OC

InChI

InChI=1S/C18H13BrN2O2S/c1-22-15-8-11(13(19)9-16(15)23-2)7-12(10-20)18-21-14-5-3-4-6-17(14)24-18/h3-9H,1-2H3/b12-7+