1-[3,5-bis(chloranyl)phenyl]-3-(2-methylbut-3-yn-2-yl)thiourea

Systemtic Name: 1-[3,5-bis(chloranyl)phenyl]-3-(2-methylbut-3-yn-2-yl)thiourea Openeye Name: 1-(3,5-dichlorophenyl)-3-(1,1-dimethylprop-2-ynyl)thiourea CAS Name: 1-(3,5-dichlorophenyl)-3-(2-methylbut-3-yn-2-yl)thiourea IUPAC Name: 1-(3,5-dichlorophenyl)-3-(2-methylbut-3-yn-2-yl)thiourea Traditional Name: 1-(3,5-dichlorophenyl)-3-(1,1-dimethylprop-2-ynyl)thiourea Formula: C12H12Cl2N2S MolecularWeight: 287.20808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC(=S)NC1=CC(=CC(=C1)Cl)Cl

Isomeric SMILES

CC(C)(C#C)NC(=S)NC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C12H12Cl2N2S/c1-4-12(2,3)16-11(17)15-10-6-8(13)5-9(14)7-10/h1,5-7H,2-3H3,(H2,15,16,17)