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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H20N4O3S/c1-11(2)20-10-17-19-16(20)24-9-15(21)18-12-4-5-13-14(8-12)23-7-3-6-22-13/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,18,21)