(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-quinolin-2-ylsulfanyl-butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-quinolin-2-ylsulfanyl-butanenitrile Openeye Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(2-quinolylsulfanyl)butanenitrile CAS Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(2-quinolinylthio)butanenitrile IUPAC Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-quinolin-2-ylsulfanylbutanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(2-quinolylthio)butyronitrile Formula: C21H15N3OS2 MolecularWeight: 389.4933

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(\C#N)/C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H15N3OS2/c1-24-17-8-4-5-9-19(17)27-21(24)15(12-22)18(25)13-26-20-11-10-14-6-2-3-7-16(14)23-20/h2-11H,13H2,1H3/b21-15+