2-(1,3-diazinan-2-ylidene)-3-phenyl-3-sulfanylidene-propanenitrile

Systemtic Name: 2-(1,3-diazinan-2-ylidene)-3-phenyl-3-sulfanylidene-propanenitrile Openeye Name: 2-hexahydropyrimidin-2-ylidene-3-phenyl-3-thioxo-propanenitrile CAS Name: 2-(1,3-diazinan-2-ylidene)-3-phenyl-3-sulfanylidenepropanenitrile IUPAC Name: 2-(1,3-diazinan-2-ylidene)-3-phenyl-3-sulfanylidenepropanenitrile Traditional Name: 2-hexahydropyrimidin-2-ylidene-3-phenyl-3-thioxo-propionitrile Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(C#N)C(=S)C2=CC=CC=C2)NC1

Isomeric SMILES

C1CNC(=C(C#N)C(=S)C2=CC=CC=C2)NC1

InChI

InChI=1S/C13H13N3S/c14-9-11(13-15-7-4-8-16-13)12(17)10-5-2-1-3-6-10/h1-3,5-6,15-16H,4,7-8H2