4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile CAS Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]benzonitrile IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile Traditional Name: 4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]benzonitrile Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H9N3OS/c1-8-6-11(16)15-12(14-8)17-10-4-2-9(7-13)3-5-10/h2-6H,1H3,(H,14,15,16)