4-bromanylbenzenesulfonic acid; 1-(4-methyl-2-oxidanylidene-pent-3-enyl)thiourea

Systemtic Name: 4-bromanylbenzenesulfonic acid; 1-(4-methyl-2-oxidanylidene-pent-3-enyl)thiourea Openeye Name: 4-bromobenzenesulfonic acid; (4-methyl-2-oxo-pent-3-enyl)thiourea CAS Name: 4-bromobenzenesulfonic acid; (4-methyl-2-oxopent-3-enyl)thiourea IUPAC Name: 4-bromobenzenesulfonic acid; (4-methyl-2-oxopent-3-enyl)thiourea Traditional Name: brosylic acid; (2-keto-4-methyl-pent-3-enyl)thiourea Formula: C13H17BrN2O4S2 MolecularWeight: 409.31908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)CNC(=S)N)C.C1=CC(=CC=C1S(=O)(=O)O)Br

Isomeric SMILES

CC(=CC(=O)CNC(=S)N)C.C1=CC(=CC=C1S(=O)(=O)O)Br

InChI

InChI=1S/C7H12N2OS.C6H5BrO3S/c1-5(2)3-6(10)4-9-7(8)11;7-5-1-3-6(4-2-5)11(8,9)10/h3H,4H2,1-2H3,(H3,8,9,11);1-4H,(H,8,9,10)