(E)-3-(4-chlorophenyl)-1-isothiocyanato-prop-2-en-1-one

Systemtic Name: (E)-3-(4-chlorophenyl)-1-isothiocyanato-prop-2-en-1-one Openeye Name: (E)-3-(4-chlorophenyl)prop-2-enoyl isothiocyanate CAS Name: (E)-3-(4-chlorophenyl)-1-isothiocyanato-2-propen-1-one IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoyl isothiocyanate Traditional Name: (E)-3-(4-chlorophenyl)-1-isothiocyanato-prop-2-en-1-one Formula: C10H6ClNOS MolecularWeight: 223.67874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)N=C=S)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)N=C=S)Cl

InChI

InChI=1S/C10H6ClNOS/c11-9-4-1-8(2-5-9)3-6-10(13)12-7-14/h1-6H/b6-3+