3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C14H10BrN3O2S2 MolecularWeight: 396.2821

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NNC(=N3)C4=CC=CS4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NNC(=N3)C4=CC=CS4)Br

InChI

InChI=1S/C14H10BrN3O2S2/c15-9-5-11-10(19-7-20-11)4-8(9)6-22-14-16-13(17-18-14)12-2-1-3-21-12/h1-5H,6-7H2,(H,16,17,18)