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Summary

Name:3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione
Formula:C14 H8 N4 O3 S
Formal charge:0
Molecular weight:312.303 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione
OpenEye OEToolkits2.0.610,10-bis(oxidanylidene)-3-(1~{H}-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c12cc(ccc1C(c3c(S2(=O)=O)cccc3)=O)c4nnnn4
InChIInChI1.03InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)
InChIKeyInChI1.03VIDCTSLIEZMQRF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1c2ccccc2[S](=O)(=O)c3cc(ccc13)c4[nH]nnn4
SMILESCACTVS3.385O=C1c2ccccc2[S](=O)(=O)c3cc(ccc13)c4[nH]nnn4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4
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