1-(3-fluorophenyl)-3-[5-(1-pyridin-4-ylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(3-fluorophenyl)-3-[5-(1-pyridin-4-ylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3-fluorophenyl)-3-[5-[1-(4-pyridyl)propylsulfanyl]-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3-fluorophenyl)-3-[5-(1-pyridin-4-ylpropylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3-fluorophenyl)-3-[5-(1-pyridin-4-ylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3-fluorophenyl)-3-[5-[1-(4-pyridyl)propylthio]-1,3,4-thiadiazol-2-yl]urea Formula: C17H16FN5OS2 MolecularWeight: 389.470243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)SC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCC(C1=CC=NC=C1)SC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C17H16FN5OS2/c1-2-14(11-6-8-19-9-7-11)25-17-23-22-16(26-17)21-15(24)20-13-5-3-4-12(18)10-13/h3-10,14H,2H2,1H3,(H2,20,21,22,24)