3-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CCN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H11N3O2S/c1-2-5-15-11(13-14-12(15)18)8-3-4-9-10(6-8)17-7-16-9/h2-4,6H,1,5,7H2,(H,14,18)