2,4-diisothiocyanatopentan-3-ylbenzene

Systemtic Name: 2,4-diisothiocyanatopentan-3-ylbenzene Openeye Name: [2-isothiocyanato-1-(1-isothiocyanatoethyl)propyl]benzene CAS Name: 2,4-diisothiocyanatopentan-3-ylbenzene IUPAC Name: 2,4-diisothiocyanatopentan-3-ylbenzene Traditional Name: [2-isothiocyanato-1-(1-isothiocyanatoethyl)propyl]benzene Formula: C13H14N2S2 MolecularWeight: 262.39366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2S2/c1-10(14-8-16)13(11(2)15-9-17)12-6-4-3-5-7-12/h3-7,10-11,13H,1-2H3