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

Systemtic Name: 5-butan-2-yl-1,3-diethyl-2-isothiocyanato-benzene Openeye Name: 1,3-diethyl-2-isothiocyanato-5-sec-butyl-benzene CAS Name: 5-butan-2-yl-1,3-diethyl-2-isothiocyanatobenzene IUPAC Name: 5-butan-2-yl-1,3-diethyl-2-isothiocyanatobenzene Traditional Name: 1,3-diethyl-2-isothiocyanato-5-sec-butyl-benzene Formula: C15H21NS MolecularWeight: 247.39894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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