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

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

Systemtic Name:1,3-diethyl-5-hexan-2-yl-2-isothiocyanato-benzene
Openeye Name:1,3-diethyl-2-isothiocyanato-5-(1-methylpentyl)benzene
CAS Name:1,3-diethyl-5-hexan-2-yl-2-isothiocyanatobenzene
IUPAC Name:1,3-diethyl-5-hexan-2-yl-2-isothiocyanatobenzene
Traditional Name:1,3-diethyl-2-isothiocyanato-5-(1-methylpentyl)benzene
Formula: C17H25NS
MolecularWeight: 275.4521
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CC(=C(C(=C1)CC)N=C=S)CC


Isomeric SMILES

CCCCC(C)C1=CC(=C(C(=C1)CC)N=C=S)CC


InChI

InChI=1S/C17H25NS/c1-5-8-9-13(4)16-10-14(6-2)17(18-12-19)15(7-3)11-16/h10-11,13H,5-9H2,1-4H3


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