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

Systemtic Name: [2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [2-[(3-bromophenyl)methylsulfanyl]-3-pyridyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [2-[(3-bromophenyl)methylthio]-3-pyridinyl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [2-[(3-bromobenzyl)thio]-3-pyridyl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C24H24BrN3O2S MolecularWeight: 498.43526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H24BrN3O2S/c1-30-21-9-7-20(8-10-21)27-12-14-28(15-13-27)24(29)22-6-3-11-26-23(22)31-17-18-4-2-5-19(25)16-18/h2-11,16H,12-15,17H2,1H3