6-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]amine Formula: C20H18N8O2S MolecularWeight: 434.47432

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=NC(=NC(=N4)N)N)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=NC(=NC(=N4)N)N)C5=CC=CC=C5

InChI

InChI=1S/C20H18N8O2S/c21-18-23-16(24-19(22)25-18)10-31-20-27-26-17(13-4-2-1-3-5-13)28(20)9-12-6-7-14-15(8-12)30-11-29-14/h1-8H,9-11H2,(H4,21,22,23,24,25)