(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enimidate

Systemtic Name: (E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enimidate Openeye Name: (E)-3-(2-benzyloxy-5-bromo-phenyl)-2-cyano-N-thiazol-2-yl-prop-2-enimidate CAS Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-(2-thiazolyl)-2-propenimidate IUPAC Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enimidate Traditional Name: (E)-3-(2-benzoxy-5-bromo-phenyl)-2-cyano-N-thiazol-2-yl-acrylimidate Formula: C20H13BrN3O2S- MolecularWeight: 439.30512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=C(C#N)C(=NC3=NC=CS3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=C(\C#N)/C(=NC3=NC=CS3)[O-]

InChI

InChI=1S/C20H14BrN3O2S/c21-17-6-7-18(26-13-14-4-2-1-3-5-14)15(11-17)10-16(12-22)19(25)24-20-23-8-9-27-20/h1-11H,13H2,(H,23,24,25)/p-1/b16-10+