1-(2-isothiocyanatopropan-2-yl)-3-(3-methylbut-2-enyl)benzene

Systemtic Name: 1-(2-isothiocyanatopropan-2-yl)-3-(3-methylbut-2-enyl)benzene Openeye Name: 1-(1-isothiocyanato-1-methyl-ethyl)-3-(3-methylbut-2-enyl)benzene CAS Name: 1-(2-isothiocyanatopropan-2-yl)-3-(3-methylbut-2-enyl)benzene IUPAC Name: 1-(2-isothiocyanatopropan-2-yl)-3-(3-methylbut-2-enyl)benzene Traditional Name: 1-(1-isothiocyanato-1-methyl-ethyl)-3-(3-methylbut-2-enyl)benzene Formula: C15H19NS MolecularWeight: 245.38306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NS/c1-12(2)8-9-13-6-5-7-14(10-13)15(3,4)16-11-17/h5-8,10H,9H2,1-4H3