1,3-bis[4-chloranyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea

Systemtic Name: 1,3-bis[4-chloranyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1,3-bis[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1,3-bis[4-chloro-1-[(2-fluorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1,3-bis[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1,3-bis[4-chloro-1-(2-fluorobenzyl)pyrazol-3-yl]thiourea Formula: C21H16Cl2F2N6S MolecularWeight: 493.359746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C(=N2)NC(=S)NC3=NN(C=C3Cl)CC4=CC=CC=C4F)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C(=N2)NC(=S)NC3=NN(C=C3Cl)CC4=CC=CC=C4F)Cl)F

InChI

InChI=1S/C21H16Cl2F2N6S/c22-15-11-30(9-13-5-1-3-7-17(13)24)28-19(15)26-21(32)27-20-16(23)12-31(29-20)10-14-6-2-4-8-18(14)25/h1-8,11-12H,9-10H2,(H2,26,27,28,29,32)