2-chloranyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-5-(methylthio)benzamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CCCNC(=O)C2=C(C=CC(=C2)SC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1CCCNC(=O)C2=C(C=CC(=C2)SC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3OS/c1-15-16(14-25(24-15)17-8-4-3-5-9-17)7-6-12-23-21(26)19-13-18(27-2)10-11-20(19)22/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,23,26)