3-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1,2-diol

Systemtic Name: 3-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1,2-diol Openeye Name: 3-[[5-(3-chlorobenzothiophen-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1,2-diol CAS Name: 3-[[5-(3-chloro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-yl]thio]propane-1,2-diol IUPAC Name: 3-[[5-(3-chloro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1,2-diol Traditional Name: 3-[[5-(3-chlorobenzothiophen-2-yl)-1H-1,2,4-triazol-3-yl]thio]propane-1,2-diol Formula: C13H12ClN3O2S2 MolecularWeight: 341.83628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C3=NC(=NN3)SCC(CO)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C3=NC(=NN3)SCC(CO)O)Cl

InChI

InChI=1S/C13H12ClN3O2S2/c14-10-8-3-1-2-4-9(8)21-11(10)12-15-13(17-16-12)20-6-7(19)5-18/h1-4,7,18-19H,5-6H2,(H,15,16,17)