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

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[3-(phenylthio)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-[3-(phenylthio)propyl]pyrazole-4-carboxamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCSC2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCSC2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3OS/c1-15-18(19(21)24(23-15)16-9-4-2-5-10-16)20(25)22-13-8-14-26-17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3,(H,22,25)