1,3-diethyl-2-isothiocyanato-5-(3-methylbutan-2-yl)benzene

Systemtic Name: 1,3-diethyl-2-isothiocyanato-5-(3-methylbutan-2-yl)benzene Openeye Name: 5-(1,2-dimethylpropyl)-1,3-diethyl-2-isothiocyanato-benzene CAS Name: 1,3-diethyl-2-isothiocyanato-5-(3-methylbutan-2-yl)benzene IUPAC Name: 1,3-diethyl-2-isothiocyanato-5-(3-methylbutan-2-yl)benzene Traditional Name: 5-(1,2-dimethylpropyl)-1,3-diethyl-2-isothiocyanato-benzene Formula: C16H23NS MolecularWeight: 261.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NS/c1-6-13-8-15(12(5)11(3)4)9-14(7-2)16(13)17-10-18/h8-9,11-12H,6-7H2,1-5H3