S-(4-nitrophenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate

Systemtic Name: S-(4-nitrophenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Openeye Name: S-(4-nitrophenyl) N-(1,1-dimethylprop-2-ynyl)carbamothioate CAS Name: N-(2-methylbut-3-yn-2-yl)carbamothioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Traditional Name: N-(1,1-dimethylprop-2-ynyl)thiocarbamic acid S-(4-nitrophenyl) ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#C)NC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O3S/c1-4-12(2,3)13-11(15)18-10-7-5-9(6-8-10)14(16)17/h1,5-8H,2-3H3,(H,13,15)