4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-naphthyloxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-naphthalenyloxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-naphthoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)COC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C21H17N3O3S/c28-21-23-22-20(13-27-17-7-3-5-14-4-1-2-6-16(14)17)24(21)15-8-9-18-19(12-15)26-11-10-25-18/h1-9,12H,10-11,13H2,(H,23,28)