4-(1,3-benzodioxol-5-ylmethyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(phenoxymethyl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)COC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)COC4=CC=CC=C4

InChI

InChI=1S/C17H15N3O3S/c24-17-19-18-16(10-21-13-4-2-1-3-5-13)20(17)9-12-6-7-14-15(8-12)23-11-22-14/h1-8H,9-11H2,(H,19,24)