(2E)-2-(3-chloranylpropylsulfanyl)-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)ethanenitrile

Systemtic Name: (2E)-2-(3-chloranylpropylsulfanyl)-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)ethanenitrile Openeye Name: (2E)-2-(3-chloropropylsulfanyl)-2-(4-oxo-1H-quinazolin-2-ylidene)acetonitrile CAS Name: (2E)-2-(3-chloropropylthio)-2-(4-oxo-1H-quinazolin-2-ylidene)acetonitrile IUPAC Name: (2E)-2-(3-chloropropylsulfanyl)-2-(4-oxo-1H-quinazolin-2-ylidene)acetonitrile Traditional Name: (2E)-2-(3-chloropropylthio)-2-(4-keto-1H-quinazolin-2-ylidene)acetonitrile Formula: C13H12ClN3OS MolecularWeight: 293.77188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC(=C(C#N)SCCCCl)N2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N/C(=C(\C#N)/SCCCCl)/N2

InChI

InChI=1S/C13H12ClN3OS/c14-6-3-7-19-11(8-15)12-16-10-5-2-1-4-9(10)13(18)17-12/h1-2,4-5,16H,3,6-7H2,(H,17,18)/b12-11+