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

Systemtic Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[2-[(2-cyanophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[2-[(2-cyanobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-(2-thenyl)acetamide Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCC3=CC=CS3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCC3=CC=CS3)C#N

InChI

InChI=1S/C19H16N4O2S2/c20-10-13-4-1-2-5-14(13)12-27-19-22-15(9-18(25)23-19)8-17(24)21-11-16-6-3-7-26-16/h1-7,9H,8,11-12H2,(H,21,24)(H,22,23,25)