3-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-1,2,4-triazole-5-thione Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)N3C(=NNC3=S)C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)N3C(=NNC3=S)C4CC4)OC1

InChI

InChI=1S/C14H15N3O2S/c20-14-16-15-13(9-2-3-9)17(14)10-4-5-11-12(8-10)19-7-1-6-18-11/h4-5,8-9H,1-3,6-7H2,(H,16,20)