3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,1-bis(prop-2-enyl)thiourea

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,1-bis(prop-2-enyl)thiourea Openeye Name: 1,1-diallyl-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,1-bis(prop-2-enyl)thiourea IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-bis(prop-2-enyl)thiourea Traditional Name: 1,1-diallyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-5-12-21(13-6-2)18(24)19-16-14(3)20(4)22(17(16)23)15-10-8-7-9-11-15/h5-11H,1-2,12-13H2,3-4H3,(H,19,24)