(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2-thienylmethyl)prop-2-enamide CAS Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2-thenyl)acrylamide Formula: C18H13BrN4OS MolecularWeight: 413.29102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CSC(=C1)CNC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C18H13BrN4OS/c19-15-5-3-12(4-6-15)17-14(10-22-23-17)8-13(9-20)18(24)21-11-16-2-1-7-25-16/h1-8,10H,11H2,(H,21,24)(H,22,23)/b13-8+