3-(2,1,3-benzothiadiazol-4-ylmethylsulfanyl)-4-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylmethylsulfanyl)-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylmethylsulfanyl)-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-(2,1,3-benzothiadiazol-4-ylmethylthio)-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylmethylsulfanyl)-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 4-phenyl-3-(piazthiol-4-ylmethylthio)-1H-1,2,4-triazol-5-one Formula: C15H11N5OS2 MolecularWeight: 341.41074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)NN=C2SCC3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)NN=C2SCC3=CC=CC4=NSN=C43

InChI

InChI=1S/C15H11N5OS2/c21-14-16-17-15(20(14)11-6-2-1-3-7-11)22-9-10-5-4-8-12-13(10)19-23-18-12/h1-8H,9H2,(H,16,21)