4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzenecarbonitrile

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzenecarbonitrile Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzonitrile CAS Name: 4-(4,6-dimethyl-2-pyrimidinyl)-2-mercaptobenzonitrile IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanylbenzonitrile Traditional Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-mercapto-benzonitrile Formula: C13H11N3S MolecularWeight: 241.31154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=C(C=C2)C#N)S)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=C(C=C2)C#N)S)C

InChI

InChI=1S/C13H11N3S/c1-8-5-9(2)16-13(15-8)10-3-4-11(7-14)12(17)6-10/h3-6,17H,1-2H3