N-tert-butyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H24N4O3S/c1-18(2,3)19-15(23)11-26-17-21-20-16(22(17)4)12-6-7-13-14(10-12)25-9-5-8-24-13/h6-7,10H,5,8-9,11H2,1-4H3,(H,19,23)