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

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,1-diethyl-thiourea Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,1-diethyl-thiourea CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,1-diethylthiourea IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylthiourea Traditional Name: 1,1-diethyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCN(CC)C(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C16H22N4OS/c1-5-19(6-2)16(22)17-14-12(3)18(4)20(15(14)21)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3,(H,17,22)