5-isothiocyanato-2,4-dimethoxy-benzenecarbothioamide

Systemtic Name: 5-isothiocyanato-2,4-dimethoxy-benzenecarbothioamide Openeye Name: 5-isothiocyanato-2,4-dimethoxy-benzenecarbothioamide CAS Name: 5-isothiocyanato-2,4-dimethoxybenzenecarbothioamide IUPAC Name: 5-isothiocyanato-2,4-dimethoxybenzenecarbothioamide Traditional Name: 5-isothiocyanato-2,4-dimethoxy-thiobenzamide Formula: C10H10N2O2S2 MolecularWeight: 254.3286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=S)N)N=C=S)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=S)N)N=C=S)OC

InChI

InChI=1S/C10H10N2O2S2/c1-13-8-4-9(14-2)7(12-5-15)3-6(8)10(11)16/h3-4H,1-2H3,(H2,11,16)