1-tert-butyl-2-isothiocyanato-3,5-dimethyl-benzene

Systemtic Name: 1-tert-butyl-2-isothiocyanato-3,5-dimethyl-benzene Openeye Name: 1-tert-butyl-2-isothiocyanato-3,5-dimethyl-benzene CAS Name: 1-tert-butyl-2-isothiocyanato-3,5-dimethylbenzene IUPAC Name: 1-tert-butyl-2-isothiocyanato-3,5-dimethylbenzene Traditional Name: 1-tert-butyl-2-isothiocyanato-3,5-dimethyl-benzene Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)N=C=S)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)N=C=S)C

InChI

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