(1E)-1-[5-tert-butyl-2-(cyclopropylmethyl)-1-methyl-pyrazol-3-ylidene]-3-(4-fluorophenyl)thiourea

Systemtic Name: (1E)-1-[5-tert-butyl-2-(cyclopropylmethyl)-1-methyl-pyrazol-3-ylidene]-3-(4-fluorophenyl)thiourea Openeye Name: (1E)-1-[5-tert-butyl-2-(cyclopropylmethyl)-1-methyl-pyrazol-3-ylidene]-3-(4-fluorophenyl)thiourea CAS Name: (1E)-1-[5-tert-butyl-2-(cyclopropylmethyl)-1-methyl-3-pyrazolylidene]-3-(4-fluorophenyl)thiourea IUPAC Name: (1E)-1-[5-tert-butyl-2-(cyclopropylmethyl)-1-methylpyrazol-3-ylidene]-3-(4-fluorophenyl)thiourea Traditional Name: (1E)-1-[5-tert-butyl-2-(cyclopropylmethyl)-1-methyl-3-pyrazolin-3-ylidene]-3-(4-fluorophenyl)thiourea Formula: C19H25FN4S MolecularWeight: 360.492003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=S)NC2=CC=C(C=C2)F)N(N1C)CC3CC3

Isomeric SMILES

CC(C)(C)C1=C/C(=N\C(=S)NC2=CC=C(C=C2)F)/N(N1C)CC3CC3

InChI

InChI=1S/C19H25FN4S/c1-19(2,3)16-11-17(24(23(16)4)12-13-5-6-13)22-18(25)21-15-9-7-14(20)8-10-15/h7-11,13H,5-6,12H2,1-4H3,(H,21,25)/b22-17+