1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazolyl]-3-prop-2-enylthiourea IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[1-(2-chloro-6-fluoro-benzyl)pyrazol-4-yl]thiourea Formula: C14H14ClFN4S MolecularWeight: 324.804163

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CN(N=C1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C=CCNC(=S)NC1=CN(N=C1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C14H14ClFN4S/c1-2-6-17-14(21)19-10-7-18-20(8-10)9-11-12(15)4-3-5-13(11)16/h2-5,7-8H,1,6,9H2,(H2,17,19,21)