(2Z)-4-(azocan-1-yl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-4-(azocan-1-yl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-4-(azocan-1-yl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2Z)-4-(1-azocanyl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2Z)-4-(azocan-1-yl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2Z)-4-(azocan-1-yl)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)CN3CCCCCCC3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)CN3CCCCCCC3

InChI

InChI=1S/C19H23N3OS/c1-21-16-9-5-6-10-18(16)24-19(21)15(13-20)17(23)14-22-11-7-3-2-4-8-12-22/h5-6,9-10H,2-4,7-8,11-12,14H2,1H3/b19-15-