1-tert-butyl-4-(2-isothiocyanatoethyl)benzene

Systemtic Name: 1-tert-butyl-4-(2-isothiocyanatoethyl)benzene Openeye Name: 1-tert-butyl-4-(2-isothiocyanatoethyl)benzene CAS Name: 1-tert-butyl-4-(2-isothiocyanatoethyl)benzene IUPAC Name: 1-tert-butyl-4-(2-isothiocyanatoethyl)benzene Traditional Name: 1-tert-butyl-4-(2-isothiocyanatoethyl)benzene Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCN=C=S

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCN=C=S

InChI

InChI=1S/C13H17NS/c1-13(2,3)12-6-4-11(5-7-12)8-9-14-10-15/h4-7H,8-9H2,1-3H3