1-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-3-propyl-thiourea

Systemtic Name: 1-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-3-propyl-thiourea Openeye Name: 1-[1-[(2-chloro-4-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-3-propyl-thiourea CAS Name: 1-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-propylthiourea IUPAC Name: 1-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-propylthiourea Traditional Name: 1-[1-(2-chloro-4-fluoro-benzyl)-1,2,4-triazol-3-yl]-3-propyl-thiourea Formula: C13H15ClFN5S MolecularWeight: 327.808103

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=NN(C=N1)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCCNC(=S)NC1=NN(C=N1)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C13H15ClFN5S/c1-2-5-16-13(21)18-12-17-8-20(19-12)7-9-3-4-10(15)6-11(9)14/h3-4,6,8H,2,5,7H2,1H3,(H2,16,18,19,21)