2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[2-[(2-cyanophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-prop-2-enylacetamide IUPAC Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[2-[(2-cyanobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C#N

Isomeric SMILES

C=CCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C17H16N4O2S/c1-2-7-19-15(22)8-14-9-16(23)21-17(20-14)24-11-13-6-4-3-5-12(13)10-18/h2-6,9H,1,7-8,11H2,(H,19,22)(H,20,21,23)