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

Systemtic Name: 2-[2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzamide Formula: C20H15N5O3S MolecularWeight: 405.4298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)N)C#N

InChI

InChI=1S/C20H15N5O3S/c21-10-14-17(12-6-2-1-3-7-12)24-20(25-19(14)28)29-11-16(26)23-15-9-5-4-8-13(15)18(22)27/h1-9H,11H2,(H2,22,27)(H,23,26)(H,24,25,28)