1-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]ethylcyanamide

Systemtic Name: 1-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]ethylcyanamide Openeye Name: 1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-pyrazol-4-ylidene]ethylcyanamide CAS Name: 1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4-pyrazolylidene]ethylcyanamide IUPAC Name: 1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]ethylcyanamide Traditional Name: 1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]ethylcyanamide Formula: C19H13N5OS MolecularWeight: 359.40442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NC#N

Isomeric SMILES

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NC#N

InChI

InChI=1S/C19H13N5OS/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/h2-10,21H,1H3