3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-isopropyl-3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-isopropyl-3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-1,2,4-triazole-5-thione Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C3=NNC(=S)N3C(C)C)OCCCO2

Isomeric SMILES

CC1=CC2=C(C=C1C3=NNC(=S)N3C(C)C)OCCCO2

InChI

InChI=1S/C15H19N3O2S/c1-9(2)18-14(16-17-15(18)21)11-8-13-12(7-10(11)3)19-5-4-6-20-13/h7-9H,4-6H2,1-3H3,(H,17,21)