3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzylsulfanyl-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,4-triazole CAS Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzylthio)-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,4-triazole Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3COC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O2S/c1-2-12-23-19(18-13-24-16-10-6-7-11-17(16)25-18)21-22-20(23)26-14-15-8-4-3-5-9-15/h2-11,18H,1,12-14H2/t18-/m1/s1