sodium 4-[(4Z)-4-[(4E)-4-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)butylidene]quinolin-1-yl]butane-1-sulfonate

Systemtic Name: sodium 4-[(4Z)-4-[(4E)-4-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)butylidene]quinolin-1-yl]butane-1-sulfonate Openeye Name: sodium 4-[(4Z)-4-[(4E)-4-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)butylidene]-1-quinolyl]butane-1-sulfonate CAS Name: sodium 4-[(4Z)-4-[(4E)-4-(3-butyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)butylidene]-1-quinolinyl]-1-butanesulfonate IUPAC Name: sodium 4-[(4Z)-4-[(4E)-4-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)butylidene]quinolin-1-yl]butane-1-sulfonate Traditional Name: sodium 4-[(4Z)-4-[(4E)-4-(3-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)butylidene]-1-quinolyl]butane-1-sulfonate Formula: C24H29N2NaO4S3 MolecularWeight: 528.68283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CCCC=C2C=CN(C3=CC=CC=C23)CCCCS(=O)(=O)[O-])SC1=S.[Na+]

Isomeric SMILES

CCCCN1C(=O)/C(=C\CC/C=C\2/C=CN(C3=CC=CC=C23)CCCCS(=O)(=O)[O-])/SC1=S.[Na+]

InChI

InChI=1S/C24H30N2O4S3.Na/c1-2-3-16-26-23(27)22(32-24(26)31)13-7-4-10-19-14-17-25(15-8-9-18-33(28,29)30)21-12-6-5-11-20(19)21;/h5-6,10-14,17H,2-4,7-9,15-16,18H2,1H3,(H,28,29,30);/q;+1/p-1/b19-10-,22-13+;