[2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-[(3-bromophenyl)methylsulfanyl]-3-pyridyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-[(3-bromophenyl)methylthio]-3-pyridinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-[(3-bromobenzyl)thio]-3-pyridyl]-(4-phenylpiperazino)methanone Formula: C23H22BrN3OS MolecularWeight: 468.40928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H22BrN3OS/c24-19-7-4-6-18(16-19)17-29-22-21(10-5-11-25-22)23(28)27-14-12-26(13-15-27)20-8-2-1-3-9-20/h1-11,16H,12-15,17H2