sodium 3-[(2Z)-2-(3,3-dicyanoprop-2-enylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[(2Z)-2-(3,3-dicyanoprop-2-enylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: sodium 3-[(2Z)-2-(3,3-dicyanoprop-2-enylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: sodium 3-[(2Z)-2-(3,3-dicyanoprop-2-enylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: sodium 3-[(2Z)-2-(3,3-dicyanoprop-2-enylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: sodium 3-[(2Z)-2-(3,3-dicyanoprop-2-enylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C15H12N3NaO3S2 MolecularWeight: 369.39385

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=CC=C(C#N)C#N)S2)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N(/C(=C/C=C(C#N)C#N)/S2)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H13N3O3S2.Na/c16-10-12(11-17)6-7-15-18(8-3-9-23(19,20)21)13-4-1-2-5-14(13)22-15;/h1-2,4-7H,3,8-9H2,(H,19,20,21);/q;+1/p-1/b15-7-;