sodium [(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]ethyl]-cyano-azanide

Systemtic Name: sodium [(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]ethyl]-cyano-azanide Openeye Name: sodium [(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-pyrazol-4-ylidene]ethyl]-cyano-azanide CAS Name: sodium [(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4-pyrazolylidene]ethyl]-cyanoazanide IUPAC Name: sodium [(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]ethyl]-cyanoazanide Traditional Name: sodium [(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]ethyl]-cyano-azanide Formula: C19H12N5NaOS MolecularWeight: 381.38625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)[N-]C#N.[Na+]

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)/[N-]C#N.[Na+]

InChI

InChI=1S/C19H13N5OS.Na/c1-12(21-11-20)16-17(13-7-3-2-4-8-13)23-24(18(16)25)19-22-14-9-5-6-10-15(14)26-19;/h2-10H,1H3,(H,21,23,25);/q;+1/p-1