1-(2-isothiocyanatopropan-2-yl)-4-phenyl-benzene

Systemtic Name: 1-(2-isothiocyanatopropan-2-yl)-4-phenyl-benzene Openeye Name: 1-(1-isothiocyanato-1-methyl-ethyl)-4-phenyl-benzene CAS Name: 1-(2-isothiocyanatopropan-2-yl)-4-phenylbenzene IUPAC Name: 1-(2-isothiocyanatopropan-2-yl)-4-phenylbenzene Traditional Name: 1-(1-isothiocyanato-1-methyl-ethyl)-4-phenyl-benzene Formula: C16H15NS MolecularWeight: 253.362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)N=C=S

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)N=C=S

InChI

InChI=1S/C16H15NS/c1-16(2,17-12-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3