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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C19H18N4O3S/c24-17(20-14-7-8-15-16(11-14)26-10-4-9-25-15)12-27-19-21-18(22-23-19)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H,20,24)(H,21,22,23)