N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-fluorobenzyl)thio]-1,2,4-triazol-4-yl]-piperonyl-amine Formula: C17H15FN4O2S MolecularWeight: 358.390003

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNN3C=NN=C3SCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNN3C=NN=C3SCC4=CC=C(C=C4)F

InChI

InChI=1S/C17H15FN4O2S/c18-14-4-1-12(2-5-14)9-25-17-21-19-10-22(17)20-8-13-3-6-15-16(7-13)24-11-23-15/h1-7,10,20H,8-9,11H2