3-phenylprop-2-ynyl N-[(3-methyl-2-methylsulfanyl-imidazol-4-yl)carbonylamino]carbamate

Systemtic Name: 3-phenylprop-2-ynyl N-[(3-methyl-2-methylsulfanyl-imidazol-4-yl)carbonylamino]carbamate Openeye Name: 3-phenylprop-2-ynyl N-[(3-methyl-2-methylsulfanyl-imidazole-4-carbonyl)amino]carbamate CAS Name: N-[[[3-methyl-2-(methylthio)-4-imidazolyl]-oxomethyl]amino]carbamic acid 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-2-ynyl N-[(3-methyl-2-methylsulfanylimidazole-4-carbonyl)amino]carbamate Traditional Name: N-[[3-methyl-2-(methylthio)imidazole-4-carbonyl]amino]carbamic acid 3-phenylprop-2-ynyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC)C(=O)NNC(=O)OCC#CC2=CC=CC=C2

Isomeric SMILES

CN1C(=CN=C1SC)C(=O)NNC(=O)OCC#CC2=CC=CC=C2

InChI

InChI=1S/C16H16N4O3S/c1-20-13(11-17-15(20)24-2)14(21)18-19-16(22)23-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,10H2,1-2H3,(H,18,21)(H,19,22)