1-methyl-3-[[5-(2-phenylethynyl)pyridin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-methyl-3-[[5-(2-phenylethynyl)pyridin-3-yl]carbonylamino]thiourea Openeye Name: 1-methyl-3-[[5-(2-phenylethynyl)pyridine-3-carbonyl]amino]thiourea CAS Name: 1-methyl-3-[[oxo-[5-(2-phenylethynyl)-3-pyridinyl]methyl]amino]thiourea IUPAC Name: 1-methyl-3-[[5-(2-phenylethynyl)pyridine-3-carbonyl]amino]thiourea Traditional Name: 1-methyl-3-[[5-(2-phenylethynyl)nicotinoyl]amino]thiourea Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1=CN=CC(=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CNC(=S)NNC(=O)C1=CN=CC(=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C16H14N4OS/c1-17-16(22)20-19-15(21)14-9-13(10-18-11-14)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3,(H,19,21)(H2,17,20,22)