(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloranyl-3-oxidanylidene-4-phenyl-butanenitrile; 1,4-dioxane

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloranyl-3-oxidanylidene-4-phenyl-butanenitrile; 1,4-dioxane Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-oxo-4-phenyl-butanenitrile; 1,4-dioxane CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-oxo-4-phenylbutanenitrile; 1,4-dioxane IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-oxo-4-phenylbutanenitrile; 1,4-dioxane Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-3-keto-4-phenyl-butyronitrile; 1,4-dioxane Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCO1.C1=CC=C(C=C1)C(C(=O)C(=C2NC3=CC=CC=C3S2)C#N)Cl

Isomeric SMILES

C1COCCO1.C1=CC=C(C=C1)C(C(=O)/C(=C\2/NC3=CC=CC=C3S2)/C#N)Cl

InChI

InChI=1S/C17H11ClN2OS.C4H8O2/c18-15(11-6-2-1-3-7-11)16(21)12(10-19)17-20-13-8-4-5-9-14(13)22-17;1-2-6-4-3-5-1/h1-9,15,20H;1-4H2/b17-12-;