1,3-bis(4-methoxyphenyl)-5-[[1-(phenylmethyl)indol-3-yl]methylidene]-2-sulfanyl-pyrimidin-1-ium-4,6-dione

Systemtic Name: 1,3-bis(4-methoxyphenyl)-5-[[1-(phenylmethyl)indol-3-yl]methylidene]-2-sulfanyl-pyrimidin-1-ium-4,6-dione Openeye Name: 5-[(1-benzylindol-3-yl)methylene]-1,3-bis(4-methoxyphenyl)-2-sulfanyl-pyrimidin-1-ium-4,6-dione CAS Name: 2-mercapto-1,3-bis(4-methoxyphenyl)-5-[[1-(phenylmethyl)-3-indolyl]methylidene]pyrimidin-1-ium-4,6-dione IUPAC Name: 5-[(1-benzylindol-3-yl)methylidene]-1,3-bis(4-methoxyphenyl)-2-sulfanylpyrimidin-1-ium-4,6-dione Traditional Name: 5-[(1-benzylindol-3-yl)methylene]-2-mercapto-1,3-bis(4-methoxyphenyl)pyrimidin-1-ium-4,6-quinone Formula: C34H28N3O4S+ MolecularWeight: 574.66882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)[N+](=C2S)C6=CC=C(C=C6)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)[N+](=C2S)C6=CC=C(C=C6)OC

InChI

InChI=1S/C34H27N3O4S/c1-40-27-16-12-25(13-17-27)36-32(38)30(33(39)37(34(36)42)26-14-18-28(41-2)19-15-26)20-24-22-35(21-23-8-4-3-5-9-23)31-11-7-6-10-29(24)31/h3-20,22H,21H2,1-2H3/p+1