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

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-quinazolin-4-ylsulfanyl-butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-quinazolinylthio)butanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-quinazolin-4-ylsulfanylbutanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(quinazolin-4-ylthio)butyronitrile Formula: C19H12N4OS2 MolecularWeight: 376.45478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C19H12N4OS2/c20-9-13(19-23-15-7-3-4-8-17(15)26-19)16(24)10-25-18-12-5-1-2-6-14(12)21-11-22-18/h1-8,11,23H,10H2/b19-13+