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

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,1-bis(2-methylpropyl)thiourea Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,1-diisobutyl-thiourea CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,1-bis(2-methylpropyl)thiourea IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-bis(2-methylpropyl)thiourea Traditional Name: 1,1-diisobutyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C20H30N4OS MolecularWeight: 374.5434

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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)C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4OS/c1-14(2)12-23(13-15(3)4)20(26)21-18-16(5)22(6)24(19(18)25)17-10-8-7-9-11-17/h7-11,14-15H,12-13H2,1-6H3,(H,21,26)