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

Systemtic Name: N-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-chloranyl-5-methylsulfanyl-benzamide Openeye Name: N-[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]-2-chloro-5-methylsulfanyl-benzamide CAS Name: N-[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-2-chloro-5-(methylthio)benzamide IUPAC Name: N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-chloro-5-methylsulfanylbenzamide Traditional Name: N-[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]-2-chloro-5-(methylthio)benzamide Formula: C19H17BrClN3OS MolecularWeight: 450.77978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=C(C=CC(=C3)SC)Cl)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=C(C=CC(=C3)SC)Cl)Br

InChI

InChI=1S/C19H17BrClN3OS/c1-12-4-3-5-13(8-12)10-24-11-16(20)18(23-24)22-19(25)15-9-14(26-2)6-7-17(15)21/h3-9,11H,10H2,1-2H3,(H,22,23,25)