1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea Traditional Name: 1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=CC=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCN(CCO)C1=CC=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H27N5O2S/c1-4-26(14-15-28)18-12-10-17(11-13-18)23-22(30)24-20-16(2)25(3)27(21(20)29)19-8-6-5-7-9-19/h5-13,28H,4,14-15H2,1-3H3,(H2,23,24,30)