3-(1,3-benzodioxol-5-yl)-5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazole Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCOC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCOC5=CC=CC=C5

InChI

InChI=1S/C23H19N3O3S/c1-3-7-18(8-4-1)26-22(17-11-12-20-21(15-17)29-16-28-20)24-25-23(26)30-14-13-27-19-9-5-2-6-10-19/h1-12,15H,13-14,16H2