3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-phenoxyethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(2-phenoxyethylthio)-4-phenyl-1,2,4-triazole Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCCOC5=CC=CC=C5

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCCOC5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S/c1-3-9-18(10-4-1)27-23(22-17-29-20-13-7-8-14-21(20)30-22)25-26-24(27)31-16-15-28-19-11-5-2-6-12-19/h1-14,22H,15-17H2/t22-/m1/s1