N-[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methyl-thiophen-2-yl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methyl-thiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-[4-[(1S)-1-methylpropyl]phenyl]-2-thienyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methylthiophen-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-[4-[(1S)-1-methylpropyl]phenyl]-2-thienyl]-2-methyl-pyrazole-3-carboxamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC=NN3C)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC=NN3C)C

InChI

InChI=1S/C21H22N4OS/c1-5-13(2)15-6-8-16(9-7-15)19-14(3)27-21(17(19)12-22)24-20(26)18-10-11-23-25(18)4/h6-11,13H,5H2,1-4H3,(H,24,26)/t13-/m0/s1