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

Systemtic Name: 1,3-diethyl-2-isothiocyanato-5-(2-methylpentan-3-yl)benzene Openeye Name: 1,3-diethyl-5-(1-ethyl-2-methyl-propyl)-2-isothiocyanato-benzene CAS Name: 1,3-diethyl-2-isothiocyanato-5-(2-methylpentan-3-yl)benzene IUPAC Name: 1,3-diethyl-2-isothiocyanato-5-(2-methylpentan-3-yl)benzene Traditional Name: 1,3-diethyl-5-(1-ethyl-2-methyl-propyl)-2-isothiocyanato-benzene Formula: C17H25NS MolecularWeight: 275.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NS/c1-6-13-9-15(16(8-3)12(4)5)10-14(7-2)17(13)18-11-19/h9-10,12,16H,6-8H2,1-5H3