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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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