N-(4-fluorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-fluorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-(4-fluorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-fluorophenyl)-5-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-fluorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-fluorophenyl)-5-[[4-(2-pyrimidyl)piperazino]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C18H18FN7OS MolecularWeight: 399.445223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C18H18FN7OS/c19-13-2-4-14(5-3-13)22-16(27)17-24-23-15(28-17)12-25-8-10-26(11-9-25)18-20-6-1-7-21-18/h1-7H,8-12H2,(H,22,27)