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

Systemtic Name: S-(3,4-dichlorophenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Openeye Name: S-(3,4-dichlorophenyl) N-(1,1-dimethylprop-2-ynyl)carbamothioate CAS Name: N-(2-methylbut-3-yn-2-yl)carbamothioic acid S-(3,4-dichlorophenyl) ester IUPAC Name: S-(3,4-dichlorophenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Traditional Name: N-(1,1-dimethylprop-2-ynyl)thiocarbamic acid S-(3,4-dichlorophenyl) ester Formula: C12H11Cl2NOS MolecularWeight: 288.19284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC(=O)SC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C)(C#C)NC(=O)SC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H11Cl2NOS/c1-4-12(2,3)15-11(16)17-8-5-6-9(13)10(14)7-8/h1,5-7H,2-3H3,(H,15,16)