3-(6-chloranyl-3-oxidanylidene-4-phenyl-pyrazin-2-yl)sulfanylpropanenitrile

Systemtic Name: 3-(6-chloranyl-3-oxidanylidene-4-phenyl-pyrazin-2-yl)sulfanylpropanenitrile Openeye Name: 3-(6-chloro-3-oxo-4-phenyl-pyrazin-2-yl)sulfanylpropanenitrile CAS Name: 3-[(6-chloro-3-oxo-4-phenyl-2-pyrazinyl)thio]propanenitrile IUPAC Name: 3-(6-chloro-3-oxo-4-phenylpyrazin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(6-chloro-3-keto-4-phenyl-pyrazin-2-yl)thio]propionitrile Formula: C13H10ClN3OS MolecularWeight: 291.756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(N=C(C2=O)SCCC#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(N=C(C2=O)SCCC#N)Cl

InChI

InChI=1S/C13H10ClN3OS/c14-11-9-17(10-5-2-1-3-6-10)13(18)12(16-11)19-8-4-7-15/h1-3,5-6,9H,4,8H2