(4,4-diisothiocyanatocyclohexa-2,5-dien-1-yl)-phenyl-methanone

Systemtic Name: (4,4-diisothiocyanatocyclohexa-2,5-dien-1-yl)-phenyl-methanone Openeye Name: (4,4-diisothiocyanatocyclohexa-2,5-dien-1-yl)-phenyl-methanone CAS Name: (4,4-diisothiocyanato-1-cyclohexa-2,5-dienyl)-phenylmethanone IUPAC Name: (4,4-diisothiocyanatocyclohexa-2,5-dien-1-yl)-phenylmethanone Traditional Name: (4,4-diisothiocyanatocyclohexa-2,5-dien-1-yl)-phenyl-methanone Formula: C15H10N2OS2 MolecularWeight: 298.3827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(N=C=S)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(N=C=S)N=C=S

InChI

InChI=1S/C15H10N2OS2/c18-14(12-4-2-1-3-5-12)13-6-8-15(9-7-13,16-10-19)17-11-20/h1-9,13H