2-[[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[1-(4-fluorophenyl)-5-tetrazolyl]methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylthio]-6-methyl-1H-pyrimidin-4-one Formula: C13H11FN6OS MolecularWeight: 318.329443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=NN=NN2C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=NN=NN2C3=CC=C(C=C3)F

InChI

InChI=1S/C13H11FN6OS/c1-8-6-12(21)16-13(15-8)22-7-11-17-18-19-20(11)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,15,16,21)