1-tert-butyl-3-ethyl-2-isothiocyanato-benzene

Systemtic Name: 1-tert-butyl-3-ethyl-2-isothiocyanato-benzene Openeye Name: 1-tert-butyl-3-ethyl-2-isothiocyanato-benzene CAS Name: 1-tert-butyl-3-ethyl-2-isothiocyanatobenzene IUPAC Name: 1-tert-butyl-3-ethyl-2-isothiocyanatobenzene Traditional Name: 1-tert-butyl-3-ethyl-2-isothiocyanato-benzene Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)(C)C)N=C=S

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)(C)C)N=C=S

InChI

InChI=1S/C13H17NS/c1-5-10-7-6-8-11(13(2,3)4)12(10)14-9-15/h6-8H,5H2,1-4H3