3-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(2-oxopyrimidin-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(2-oxo-1-pyrimidinyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(2-oxopyrimidin-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(2-ketopyrimidin-1-yl)methyl]thiobenzamide Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CC=NC2=O)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC=NC2=O)C(=S)N

InChI

InChI=1S/C12H11N3OS/c13-11(17)10-4-1-3-9(7-10)8-15-6-2-5-14-12(15)16/h1-7H,8H2,(H2,13,17)