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

Systemtic Name: [2-[(4-bromophenyl)methylsulfanyl]pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [2-[(4-bromophenyl)methylsulfanyl]-3-pyridyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [2-[(4-bromophenyl)methylthio]-3-pyridinyl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [2-[(4-bromophenyl)methylsulfanyl]pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [2-[(4-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=C(C=C4)Br

Isomeric SMILES

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

InChI

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