3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(2-fluorophenyl)-5-(piperonylthio)-1,2,4-triazol-4-yl]amine Formula: C16H13FN4O2S MolecularWeight: 344.363423

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3N)C4=CC=CC=C4F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3N)C4=CC=CC=C4F

InChI

InChI=1S/C16H13FN4O2S/c17-12-4-2-1-3-11(12)15-19-20-16(21(15)18)24-8-10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9,18H2