1-(2,4-diisothiocyanato-2,4-dimethyl-pentan-3-yl)-4-methyl-benzene

Systemtic Name: 1-(2,4-diisothiocyanato-2,4-dimethyl-pentan-3-yl)-4-methyl-benzene Openeye Name: 1-[2-isothiocyanato-1-(1-isothiocyanato-1-methyl-ethyl)-2-methyl-propyl]-4-methyl-benzene CAS Name: 1-(2,4-diisothiocyanato-2,4-dimethylpentan-3-yl)-4-methylbenzene IUPAC Name: 1-(2,4-diisothiocyanato-2,4-dimethylpentan-3-yl)-4-methylbenzene Traditional Name: 1-[2-isothiocyanato-1-(1-isothiocyanato-1-methyl-ethyl)-2-methyl-propyl]-4-methyl-benzene Formula: C16H20N2S2 MolecularWeight: 304.4734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)(C)N=C=S)C(C)(C)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C)(C)N=C=S)C(C)(C)N=C=S

InChI

InChI=1S/C16H20N2S2/c1-12-6-8-13(9-7-12)14(15(2,3)17-10-19)16(4,5)18-11-20/h6-9,14H,1-5H3