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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COCC1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C12H13N3O3S/c1-16-7-11-13-14-12(19)15(11)8-2-3-9-10(6-8)18-5-4-17-9/h2-3,6H,4-5,7H2,1H3,(H,14,19)