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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NNC1=S)CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)N1C(=NNC1=S)CC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C15H19N3O2S/c1-10(2)18-14(16-17-15(18)21)9-11-4-5-12-13(8-11)20-7-3-6-19-12/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,21)