5-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]phenyl]-1,3,4-oxadiazole-2-thiolate

Systemtic Name: 5-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]phenyl]-1,3,4-oxadiazole-2-thiolate Openeye Name: 5-[4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]phenyl]-1,3,4-oxadiazole-2-thiolate CAS Name: 5-[4-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]phenyl]-1,3,4-oxadiazole-2-thiolate IUPAC Name: 5-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]phenyl]-1,3,4-oxadiazole-2-thiolate Traditional Name: 5-[4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]phenyl]-1,3,4-oxadiazole-2-thiolate Formula: C20H17N6O2S2- MolecularWeight: 437.51798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C4=NN=C(O4)[S-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C4=NN=C(O4)[S-]

InChI

InChI=1S/C20H18N6O2S2/c1-12-16(18(27)26(25(12)2)15-6-4-3-5-7-15)22-19(29)21-14-10-8-13(9-11-14)17-23-24-20(30)28-17/h3-11H,1-2H3,(H,24,30)(H2,21,22,29)/p-1