3-(4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanenitrile

Systemtic Name: 3-(4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanenitrile Openeye Name: 3-(4-oxobenzothiopheno[3,2-d]pyrimidin-3-yl)propanenitrile CAS Name: 3-(4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanenitrile IUPAC Name: 3-(4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanenitrile Traditional Name: 3-(4-ketobenzothiopheno[3,2-d]pyrimidin-3-yl)propionitrile Formula: C13H9N3OS MolecularWeight: 255.29506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=O)N(C=N3)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=O)N(C=N3)CCC#N

InChI

InChI=1S/C13H9N3OS/c14-6-3-7-16-8-15-11-9-4-1-2-5-10(9)18-12(11)13(16)17/h1-2,4-5,8H,3,7H2