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

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-chlorophenyl)sulfanyl-butanamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-chlorophenyl)sulfanyl-butanamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-4-[(4-chlorophenyl)thio]butanamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-chlorophenyl)sulfanylbutanamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-4-[(4-chlorophenyl)thio]butyramide Formula: C20H19BrClN3OS MolecularWeight: 464.80636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=CC=N2)NC(=O)CCCSC3=CC=C(C=C3)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C(=CC=N2)NC(=O)CCCSC3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C20H19BrClN3OS/c21-16-5-3-15(4-6-16)14-25-19(11-12-23-25)24-20(26)2-1-13-27-18-9-7-17(22)8-10-18/h3-12H,1-2,13-14H2,(H,24,26)