4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-3-(1-naphthylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(1-naphthalenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-3-(1-naphthylmethyl)-1H-1,2,4-triazole-5-thione Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=NN3C(=NNC3=S)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=N/N3C(=NNC3=S)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H18N4O2S/c29-22-25-24-21(13-17-6-3-5-16-4-1-2-7-18(16)17)26(22)23-14-15-8-9-19-20(12-15)28-11-10-27-19/h1-9,12,14H,10-11,13H2,(H,25,29)/b23-14+