S-[(6-cyano-3-methyl-4-pyridin-3-yl-pyridin-2-yl)methyl] 3,5-dimethylpyrazole-1-carbothioate

Systemtic Name: S-[(6-cyano-3-methyl-4-pyridin-3-yl-pyridin-2-yl)methyl] 3,5-dimethylpyrazole-1-carbothioate Openeye Name: S-[[6-cyano-3-methyl-4-(3-pyridyl)-2-pyridyl]methyl] 3,5-dimethylpyrazole-1-carbothioate CAS Name: 3,5-dimethyl-1-pyrazolecarbothioic acid S-[[6-cyano-3-methyl-4-(3-pyridinyl)-2-pyridinyl]methyl] ester IUPAC Name: S-[(6-cyano-3-methyl-4-pyridin-3-ylpyridin-2-yl)methyl] 3,5-dimethylpyrazole-1-carbothioate Traditional Name: 3,5-dimethylpyrazole-1-carbothioic acid S-[[6-cyano-3-methyl-4-(3-pyridyl)-2-pyridyl]methyl] ester Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)SCC2=NC(=CC(=C2C)C3=CN=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=NN1C(=O)SCC2=NC(=CC(=C2C)C3=CN=CC=C3)C#N)C

InChI

InChI=1S/C19H17N5OS/c1-12-7-13(2)24(23-12)19(25)26-11-18-14(3)17(8-16(9-20)22-18)15-5-4-6-21-10-15/h4-8,10H,11H2,1-3H3