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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20N4O3S/c1-14-22-23-20(24(14)16-6-3-2-4-7-16)28-13-19(25)21-15-8-9-17-18(12-15)27-11-5-10-26-17/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,25)