1-(1,3-diisothiocyanatopropan-2-yl)-4-methyl-benzene

Systemtic Name: 1-(1,3-diisothiocyanatopropan-2-yl)-4-methyl-benzene Openeye Name: 1-[2-isothiocyanato-1-(isothiocyanatomethyl)ethyl]-4-methyl-benzene CAS Name: 1-(1,3-diisothiocyanatopropan-2-yl)-4-methylbenzene IUPAC Name: 1-(1,3-diisothiocyanatopropan-2-yl)-4-methylbenzene Traditional Name: 1-[2-isothiocyanato-1-(isothiocyanatomethyl)ethyl]-4-methyl-benzene Formula: C12H12N2S2 MolecularWeight: 248.36708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2S2/c1-10-2-4-11(5-3-10)12(6-13-8-15)7-14-9-16/h2-5,12H,6-7H2,1H3