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

Systemtic Name: 4-[5-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C21H15ClN4O2S MolecularWeight: 422.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)Cl

InChI

InChI=1S/C21H15ClN4O2S/c22-17-11-19-18(27-13-28-19)10-15(17)12-29-21-25-24-20(14-6-8-23-9-7-14)26(21)16-4-2-1-3-5-16/h1-11H,12-13H2