3-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: 3-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: 3-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzamide IUPAC Name: 3-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 3-[[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzamide Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)N)C#N

InChI

InChI=1S/C19H14N4O2S/c20-10-15-16(13-6-2-1-3-7-13)22-19(23-18(15)25)26-11-12-5-4-8-14(9-12)17(21)24/h1-9H,11H2,(H2,21,24)(H,22,23,25)