2-[6-azanyl-1-(3-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-azanyl-1-(3-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[6-amino-1-(3-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[6-amino-1-(3-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[6-amino-1-(3-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[6-amino-1-(3-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]acetonitrile Formula: C12H9ClN4OS MolecularWeight: 292.74406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C(=CC(=O)N=C2SCC#N)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C(=CC(=O)N=C2SCC#N)N

InChI

InChI=1S/C12H9ClN4OS/c13-8-2-1-3-9(6-8)17-10(15)7-11(18)16-12(17)19-5-4-14/h1-3,6-7H,5,15H2