(2Z)-3-oxidanylidene-2-[oxidanyl-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-4-phenyl-butanenitrile

Systemtic Name: (2Z)-3-oxidanylidene-2-[oxidanyl-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-4-phenyl-butanenitrile Openeye Name: (2Z)-2-[hydroxy-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]methylene]-3-oxo-4-phenyl-butanenitrile CAS Name: (2Z)-2-[hydroxy-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-3-oxo-4-phenylbutanenitrile IUPAC Name: (2Z)-2-[hydroxy-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-3-oxo-4-phenylbutanenitrile Traditional Name: (Z)-3-hydroxy-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-2-(2-phenylacetyl)acrylonitrile Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=C(C#N)C(=O)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)/C(=C(\C#N)/C(=O)CC3=CC=CC=C3)/O

InChI

InChI=1S/C21H19N3O2S2/c1-13(2)24(15-8-9-17-19(11-15)28-21(27)23-17)20(26)16(12-22)18(25)10-14-6-4-3-5-7-14/h3-9,11,13,26H,10H2,1-2H3,(H,23,27)/b20-16-