1-butan-2-yl-2-isothiocyanato-3-methyl-benzene

Systemtic Name: 1-butan-2-yl-2-isothiocyanato-3-methyl-benzene Openeye Name: 2-isothiocyanato-1-methyl-3-sec-butyl-benzene CAS Name: 1-butan-2-yl-2-isothiocyanato-3-methylbenzene IUPAC Name: 1-butan-2-yl-2-isothiocyanato-3-methylbenzene Traditional Name: 2-isothiocyanato-1-methyl-3-sec-butyl-benzene Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC(=C1N=C=S)C

Isomeric SMILES

CCC(C)C1=CC=CC(=C1N=C=S)C

InChI

InChI=1S/C12H15NS/c1-4-9(2)11-7-5-6-10(3)12(11)13-8-14/h5-7,9H,4H2,1-3H3