3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,4-triazol-4-amine CAS Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(phenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,4-triazol-4-yl]amine Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3N)SCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C3=NN=C(N3N)SCC4=CC=CC=C4

InChI

InChI=1S/C17H16N4O2S/c18-21-16(15-10-22-13-8-4-5-9-14(13)23-15)19-20-17(21)24-11-12-6-2-1-3-7-12/h1-9,15H,10-11,18H2/t15-/m1/s1