(4-isothiocyanato-2,4-dimethyl-pentan-2-yl)benzene

Systemtic Name: (4-isothiocyanato-2,4-dimethyl-pentan-2-yl)benzene Openeye Name: (3-isothiocyanato-1,1,3-trimethyl-butyl)benzene CAS Name: (4-isothiocyanato-2,4-dimethylpentan-2-yl)benzene IUPAC Name: (4-isothiocyanato-2,4-dimethylpentan-2-yl)benzene Traditional Name: (3-isothiocyanato-1,1,3-trimethyl-butyl)benzene Formula: C14H19NS MolecularWeight: 233.37236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NS/c1-13(2,10-14(3,4)15-11-16)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3