N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-phenylsulfanyl-butanamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-4-(phenylthio)butanamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-phenylsulfanylbutanamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-4-(phenylthio)butyramide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c21-17-10-8-16(9-11-17)15-24-19(12-13-22-24)23-20(25)7-4-14-26-18-5-2-1-3-6-18/h1-3,5-6,8-13H,4,7,14-15H2,(H,23,25)