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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-2-25-20(15-7-4-3-5-8-15)23-24-21(25)29-14-19(26)22-16-9-10-17-18(13-16)28-12-6-11-27-17/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,22,26)