1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea CAS Name: 1-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-prop-2-enylthiourea IUPAC Name: 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea Formula: C20H19FN4S MolecularWeight: 366.455063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=S)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C20H19FN4S/c1-2-12-22-20(26)23-13-16-14-25(18-6-4-3-5-7-18)24-19(16)15-8-10-17(21)11-9-15/h2-11,14H,1,12-13H2,(H2,22,23,26)