(E)-3-(3-bromanyl-5-methoxy-4-oxidanidyl-phenyl)-2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enimidate

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanidyl-phenyl)-2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enimidate Openeye Name: (E)-3-(3-bromo-5-methoxy-4-oxido-phenyl)-2-cyano-N-(4-phenylthiazol-2-yl)prop-2-enimidate CAS Name: (E)-3-(3-bromo-5-methoxy-4-oxidophenyl)-2-cyano-N-(4-phenyl-2-thiazolyl)-2-propenimidate IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-oxidophenyl)-2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enimidate Traditional Name: (E)-3-(3-bromo-5-methoxy-4-oxido-phenyl)-2-cyano-N-(4-phenylthiazol-2-yl)acrylimidate Formula: C20H12BrN3O3S-2 MolecularWeight: 454.29658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=NC2=NC(=CS2)C3=CC=CC=C3)[O-])Br)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=NC2=NC(=CS2)C3=CC=CC=C3)[O-])Br)[O-]

InChI

InChI=1S/C20H14BrN3O3S/c1-27-17-9-12(8-15(21)18(17)25)7-14(10-22)19(26)24-20-23-16(11-28-20)13-5-3-2-4-6-13/h2-9,11,25H,1H3,(H,23,24,26)/p-2/b14-7+