(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enimidate

Systemtic Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enimidate Openeye Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-thiazol-2-yl-prop-2-enimidate CAS Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2-thiazolyl)-2-propenimidate IUPAC Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enimidate Traditional Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-thiazol-2-yl-acrylimidate Formula: C23H19N4O4S- MolecularWeight: 447.48636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)C(=NC3=NC=CS3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=NC3=NC=CS3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-23(2,3)17-5-7-18(8-6-17)31-20-9-4-15(13-19(20)27(29)30)12-16(14-24)21(28)26-22-25-10-11-32-22/h4-13H,1-3H3,(H,25,26,28)/p-1/b16-12+