(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-quinazolin-4-ylsulfanyl-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-quinazolinylthio)pentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-quinazolin-4-ylsulfanylpentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(quinazolin-4-ylthio)valeronitrile Formula: C20H14N4OS2 MolecularWeight: 390.48136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H14N4OS2/c1-12(26-19-13-6-2-3-7-15(13)22-11-23-19)18(25)14(10-21)20-24-16-8-4-5-9-17(16)27-20/h2-9,11-12,24H,1H3/b20-14+