1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(methylcarbamothioylamino)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(methylcarbamothioylamino)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(methylcarbamothioylamino)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[methylamino(sulfanylidene)methyl]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(methylcarbamothioylamino)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(methylthiocarbamoylamino)thiourea Formula: C14H18N6OS2 MolecularWeight: 350.46232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NC

InChI

InChI=1S/C14H18N6OS2/c1-9-11(16-14(23)18-17-13(22)15-2)12(21)20(19(9)3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H2,15,17,22)(H2,16,18,23)