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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC1=NNC(=S)N1C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C13H15N3O2S/c1-2-12-14-15-13(19)16(12)9-4-5-10-11(8-9)18-7-3-6-17-10/h4-5,8H,2-3,6-7H2,1H3,(H,15,19)