N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-2-cyano-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-2-cyano-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[5-(4-bromobenzyl)thiazol-2-yl]-2-cyano-3-(3-nitrophenyl)acrylamide Formula: C20H13BrN4O3S MolecularWeight: 469.31122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H13BrN4O3S/c21-16-6-4-13(5-7-16)10-18-12-23-20(29-18)24-19(26)15(11-22)8-14-2-1-3-17(9-14)25(27)28/h1-9,12H,10H2,(H,23,24,26)