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

Systemtic Name: 1,3-diethyl-2-isothiocyanato-5-(3-methylbutyl)benzene Openeye Name: 1,3-diethyl-5-isopentyl-2-isothiocyanato-benzene CAS Name: 1,3-diethyl-2-isothiocyanato-5-(3-methylbutyl)benzene IUPAC Name: 1,3-diethyl-2-isothiocyanato-5-(3-methylbutyl)benzene Traditional Name: 1,3-diethyl-5-isoamyl-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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NS/c1-5-14-9-13(8-7-12(3)4)10-15(6-2)16(14)17-11-18/h9-10,12H,5-8H2,1-4H3