1-butan-2-yl-2-isothiocyanato-3,5-dimethyl-benzene

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NS/c1-5-10(3)12-7-9(2)6-11(4)13(12)14-8-15/h6-7,10H,5H2,1-4H3