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

Systemtic Name: 5-(2,3-dimethylbutyl)-1,3-diethyl-2-isothiocyanato-benzene Openeye Name: 5-(2,3-dimethylbutyl)-1,3-diethyl-2-isothiocyanato-benzene CAS Name: 5-(2,3-dimethylbutyl)-1,3-diethyl-2-isothiocyanatobenzene IUPAC Name: 5-(2,3-dimethylbutyl)-1,3-diethyl-2-isothiocyanatobenzene Traditional Name: 5-(2,3-dimethylbutyl)-1,3-diethyl-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)CC(C)C(C)C

Isomeric SMILES

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

InChI

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