N-[3-[3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C22H19N7OS MolecularWeight: 429.49756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H19N7OS/c1-15-20(12-23)21(29(27-15)18-8-4-3-5-9-18)13-31-22-26-24-14-28(22)19-10-6-7-17(11-19)25-16(2)30/h3-11,14H,13H2,1-2H3,(H,25,30)