(4,4-diisothiocyanato-3,3-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-methanone

Systemtic Name: (4,4-diisothiocyanato-3,3-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-methanone Openeye Name: (4,4-diisothiocyanato-3,3-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-methanone CAS Name: (4,4-diisothiocyanato-3,3-dimethyl-1-cyclohexa-1,5-dienyl)-phenylmethanone IUPAC Name: (4,4-diisothiocyanato-3,3-dimethylcyclohexa-1,5-dien-1-yl)-phenylmethanone Traditional Name: (4,4-diisothiocyanato-3,3-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-methanone Formula: C17H14N2OS2 MolecularWeight: 326.43586

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C=CC1(N=C=S)N=C=S)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(C=C(C=CC1(N=C=S)N=C=S)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H14N2OS2/c1-16(2)10-14(15(20)13-6-4-3-5-7-13)8-9-17(16,18-11-21)19-12-22/h3-10H,1-2H3