N-[4-(4-bromophenyl)sulfanylphenyl]-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]propanamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propionamide Formula: C23H23BrN4OS MolecularWeight: 483.42392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H23BrN4OS/c1-16-22(17(2)28(27-16)15-3-14-25)12-13-23(29)26-19-6-10-21(11-7-19)30-20-8-4-18(24)5-9-20/h4-11H,3,12-13,15H2,1-2H3,(H,26,29)