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Summary

Name:1-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1,4-DIAZEPANE
Formula:C13 H16 N4 S
Formal charge:0
Molecular weight:260.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
OpenEye OEToolkits1.9.25-(1,4-diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(snc1c2ccccc2)N3CCCNCC3
InChIInChI1.03InChI=1S/C13H16N4S/c1-2-5-11(6-3-1)12-15-13(18-16-12)17-9-4-7-14-8-10-17/h1-3,5-6,14H,4,7-10H2
InChIKeyInChI1.03IENGAZSTLAONAR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CNCCN(C1)c2snc(n2)c3ccccc3
SMILESCACTVS3.385C1CNCCN(C1)c2snc(n2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)c2nc(sn2)N3CCCNCC3
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)c2nc(sn2)N3CCCNCC3