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

Systemtic Name: 1-butyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-ethyl-thiourea Openeye Name: 1-butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-ethyl-thiourea CAS Name: 1-butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-ethylthiourea IUPAC Name: 1-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-ethylthiourea Traditional Name: 1-butyl-1-ethyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4OS/c1-5-7-13-21(6-2)18(24)19-16-14(3)20(4)22(17(16)23)15-11-9-8-10-12-15/h8-12H,5-7,13H2,1-4H3,(H,19,24)