1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C)NNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C(C)NNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)C=C1

InChI

InChI=1S/C21H23N5O2S/c1-13-10-11-18(27)17(12-13)14(2)23-24-21(29)22-19-15(3)25(4)26(20(19)28)16-8-6-5-7-9-16/h5-12,23H,1-4H3,(H2,22,24,29)