N-(4-chloranyl-3-methyl-phenyl)-1-methyl-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-1-methyl-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-1-methyl-5-(4-pyridylmethylsulfanyl)pyrazole-4-carboxamide CAS Name: N-(4-chloro-3-methylphenyl)-1-methyl-5-(pyridin-4-ylmethylthio)-4-pyrazolecarboxamide IUPAC Name: N-(4-chloro-3-methylphenyl)-1-methyl-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-1-methyl-5-(4-pyridylmethylthio)pyrazole-4-carboxamide Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2)C)SCC3=CC=NC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2)C)SCC3=CC=NC=C3)Cl

InChI

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