5-chloranyl-1,3-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1,3-dimethyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-chloro-1,3-dimethyl-N-[4-(3-pyridinylmethylthio)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1,3-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1,3-dimethyl-N-[4-(3-pyridylmethylthio)phenyl]pyrazole-4-carboxamide Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Cl)C

InChI

InChI=1S/C18H17ClN4OS/c1-12-16(17(19)23(2)22-12)18(24)21-14-5-7-15(8-6-14)25-11-13-4-3-9-20-10-13/h3-10H,11H2,1-2H3,(H,21,24)