(5-tert-butyl-2-methyl-4-thiocyanato-phenyl)carbamic acid

Systemtic Name: (5-tert-butyl-2-methyl-4-thiocyanato-phenyl)carbamic acid Openeye Name: (5-tert-butyl-2-methyl-4-thiocyanato-phenyl)carbamic acid CAS Name: (5-tert-butyl-2-methyl-4-thiocyanatophenyl)carbamic acid IUPAC Name: (5-tert-butyl-2-methyl-4-thiocyanatophenyl)carbamic acid Traditional Name: (5-tert-butyl-2-methyl-4-thiocyanato-phenyl)carbamic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC#N)C(C)(C)C)NC(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)SC#N)C(C)(C)C)NC(=O)O

InChI

InChI=1S/C13H16N2O2S/c1-8-5-11(18-7-14)9(13(2,3)4)6-10(8)15-12(16)17/h5-6,15H,1-4H3,(H,16,17)