(2Z,5Z)-2-[(3-ethyl-5-phenyl-2H-1,3-benzoxazol-1-ium-2-yl)methylidene]-5-[(2Z)-2-(1-methylquinolin-4-ylidene)ethylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one iodide

Systemtic Name: (2Z,5Z)-2-[(3-ethyl-5-phenyl-2H-1,3-benzoxazol-1-ium-2-yl)methylidene]-5-[(2Z)-2-(1-methylquinolin-4-ylidene)ethylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one iodide Openeye Name: (2Z,5Z)-3-allyl-2-[(3-ethyl-5-phenyl-2H-1,3-benzoxazol-1-ium-2-yl)methylene]-5-[(2Z)-2-(1-methyl-4-quinolylidene)ethylidene]thiazolidin-4-one iodide CAS Name: (2Z,5Z)-2-[(3-ethyl-5-phenyl-2H-1,3-benzoxazol-1-ium-2-yl)methylidene]-5-[(2Z)-2-(1-methyl-4-quinolinylidene)ethylidene]-3-prop-2-enyl-4-thiazolidinone iodide IUPAC Name: (2Z,5Z)-2-[(3-ethyl-5-phenyl-2H-1,3-benzoxazol-1-ium-2-yl)methylidene]-5-[(2Z)-2-(1-methylquinolin-4-ylidene)ethylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one iodide Traditional Name: (2Z,5Z)-3-allyl-2-[(3-ethyl-5-phenyl-2H-1,3-benzoxazol-1-ium-2-yl)methylene]-5-[(2Z)-2-(1-methyl-4-quinolylidene)ethylidene]thiazolidin-4-one iodide Formula: C34H32IN3O2S MolecularWeight: 673.60625

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C([OH+]C2=C1C=C(C=C2)C3=CC=CC=C3)C=C4N(C(=O)C(=CC=C5C=CN(C6=CC=CC=C56)C)S4)CC=C.[I-]

Isomeric SMILES

CCN1C([OH+]C2=C1C=C(C=C2)C3=CC=CC=C3)/C=C\4/N(C(=O)/C(=C/C=C\5/C=CN(C6=CC=CC=C56)C)/S4)CC=C.[I-]

InChI

InChI=1S/C34H31N3O2S.HI/c1-4-20-37-33(40-31(34(37)38)18-16-25-19-21-35(3)28-14-10-9-13-27(25)28)23-32-36(5-2)29-22-26(15-17-30(29)39-32)24-11-7-6-8-12-24;/h4,6-19,21-23,32H,1,5,20H2,2-3H3;1H/b25-16-,31-18-,33-23-;