2-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[[1-(4-chlorophenyl)tetrazol-5-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[[1-(4-chlorophenyl)-5-tetrazolyl]methylthio]-4-pyrimidinolate IUPAC Name: 2-[[1-(4-chlorophenyl)tetrazol-5-yl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[[1-(4-chlorophenyl)tetrazol-5-yl]methylthio]pyrimidin-4-olate Formula: C12H8ClN6OS- MolecularWeight: 319.74952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=N2)CSC3=NC=CC(=N3)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=N2)CSC3=NC=CC(=N3)[O-])Cl

InChI

InChI=1S/C12H9ClN6OS/c13-8-1-3-9(4-2-8)19-10(16-17-18-19)7-21-12-14-6-5-11(20)15-12/h1-6H,7H2,(H,14,15,20)/p-1