1,3-ditert-butyl-5-isothiocyanato-benzene

Systemtic Name: 1,3-ditert-butyl-5-isothiocyanato-benzene Openeye Name: 1,3-ditert-butyl-5-isothiocyanato-benzene CAS Name: 1,3-ditert-butyl-5-isothiocyanatobenzene IUPAC Name: 1,3-ditert-butyl-5-isothiocyanatobenzene Traditional Name: 1,3-ditert-butyl-5-isothiocyanato-benzene Formula: C15H21NS MolecularWeight: 247.39894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NS/c1-14(2,3)11-7-12(15(4,5)6)9-13(8-11)16-10-17/h7-9H,1-6H3