4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C=NN=C3SCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C=NN=C3SCC4=CC=CC=C4

InChI

InChI=1S/C17H15N3O2S/c1-2-4-13(5-3-1)11-23-17-19-18-12-20(17)14-6-7-15-16(10-14)22-9-8-21-15/h1-7,10,12H,8-9,11H2