4-[5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyridine Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=NC=C4

InChI

InChI=1S/C16H13BrN4O2S/c1-21-15(10-2-4-18-5-3-10)19-20-16(21)24-8-11-6-13-14(7-12(11)17)23-9-22-13/h2-7H,8-9H2,1H3