(4-tert-butylphenyl)-isothiocyanato-methanone

Systemtic Name: (4-tert-butylphenyl)-isothiocyanato-methanone Openeye Name: 4-tert-butylbenzoyl isothiocyanate CAS Name: (4-tert-butylphenyl)-isothiocyanatomethanone IUPAC Name: 4-tert-butylbenzoyl isothiocyanate Traditional Name: (4-tert-butylphenyl)-isothiocyanato-methanone Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N=C=S

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N=C=S

InChI

InChI=1S/C12H13NOS/c1-12(2,3)10-6-4-9(5-7-10)11(14)13-8-15/h4-7H,1-3H3