1-methyl-4-[6-[[1-(phenylmethyl)imidazol-2-yl]methylsulfanyl]pyridin-3-yl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[6-[[1-(phenylmethyl)imidazol-2-yl]methylsulfanyl]pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-[[6-[(1-benzylimidazol-2-yl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazine CAS Name: 1-methyl-4-[[6-[[1-(phenylmethyl)-2-imidazolyl]methylthio]-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-[6-[(1-benzylimidazol-2-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-[(1-benzylimidazol-2-yl)methylthio]-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2S2/c1-24-11-13-26(14-12-24)30(27,28)19-7-8-21(23-15-19)29-17-20-22-9-10-25(20)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3