1,3-diethyl-2-isothiocyanato-5-(2-methylpropyl)benzene

Systemtic Name: 1,3-diethyl-2-isothiocyanato-5-(2-methylpropyl)benzene Openeye Name: 1,3-diethyl-5-isobutyl-2-isothiocyanato-benzene CAS Name: 1,3-diethyl-2-isothiocyanato-5-(2-methylpropyl)benzene IUPAC Name: 1,3-diethyl-2-isothiocyanato-5-(2-methylpropyl)benzene Traditional Name: 1,3-diethyl-5-isobutyl-2-isothiocyanato-benzene Formula: C15H21NS MolecularWeight: 247.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N=C=S)CC)CC(C)C

Isomeric SMILES

CCC1=CC(=CC(=C1N=C=S)CC)CC(C)C

InChI

InChI=1S/C15H21NS/c1-5-13-8-12(7-11(3)4)9-14(6-2)15(13)16-10-17/h8-9,11H,5-7H2,1-4H3