4-chloranyl-5-ethyl-2-methyl-N-[(4-phenylsulfanylphenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-5-ethyl-2-methyl-N-[(4-phenylsulfanylphenyl)methyl]pyrazole-3-carboxamide Openeye Name: 4-chloro-5-ethyl-2-methyl-N-[(4-phenylsulfanylphenyl)methyl]pyrazole-3-carboxamide CAS Name: 4-chloro-5-ethyl-2-methyl-N-[[4-(phenylthio)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-5-ethyl-2-methyl-N-[(4-phenylsulfanylphenyl)methyl]pyrazole-3-carboxamide Traditional Name: 4-chloro-5-ethyl-2-methyl-N-[4-(phenylthio)benzyl]pyrazole-3-carboxamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)SC3=CC=CC=C3)C

Isomeric SMILES

CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C20H20ClN3OS/c1-3-17-18(21)19(24(2)23-17)20(25)22-13-14-9-11-16(12-10-14)26-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,22,25)