[(E)-2-isothiocyanato-2-methyl-4-phenyl-but-3-enyl] thiocyanate

Systemtic Name: [(E)-2-isothiocyanato-2-methyl-4-phenyl-but-3-enyl] thiocyanate Openeye Name: [(E)-2-isothiocyanato-2-methyl-4-phenyl-but-3-enyl] thiocyanate CAS Name: thiocyanic acid [(E)-2-isothiocyanato-2-methyl-4-phenylbut-3-enyl] ester IUPAC Name: [(E)-2-isothiocyanato-2-methyl-4-phenylbut-3-enyl] thiocyanate Traditional Name: thiocyanic acid [(E)-2-isothiocyanato-2-methyl-4-phenyl-but-3-enyl] ester Formula: C13H12N2S2 MolecularWeight: 260.37778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CSC#N)(/C=C/C1=CC=CC=C1)N=C=S

InChI

InChI=1S/C13H12N2S2/c1-13(15-11-16,9-17-10-14)8-7-12-5-3-2-4-6-12/h2-8H,9H2,1H3/b8-7+