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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(ethylcarbamothioylamino)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(ethylcarbamothioylamino)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[ethylamino(sulfanylidene)methyl]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(ethylcarbamothioylamino)thiourea Traditional Name: 1-ethyl-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]thiourea Formula: C15H20N6OS2 MolecularWeight: 364.4889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCNC(=S)NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C15H20N6OS2/c1-4-16-14(23)18-19-15(24)17-12-10(2)20(3)21(13(12)22)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H2,16,18,23)(H2,17,19,24)