1-isothiocyanato-2,4-di(propan-2-yl)benzene

Systemtic Name: 1-isothiocyanato-2,4-di(propan-2-yl)benzene Openeye Name: 2,4-diisopropyl-1-isothiocyanato-benzene CAS Name: 1-isothiocyanato-2,4-di(propan-2-yl)benzene IUPAC Name: 1-isothiocyanato-2,4-di(propan-2-yl)benzene Traditional Name: 2,4-diisopropyl-1-isothiocyanato-benzene Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NS/c1-9(2)11-5-6-13(14-8-15)12(7-11)10(3)4/h5-7,9-10H,1-4H3