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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H20N4O3S/c1-2-4-14-18-16(20-19-14)24-10-15(21)17-11-5-6-12-13(9-11)23-8-3-7-22-12/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,21)(H,18,19,20)