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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4)OC1

InChI

InChI=1S/C17H16N4O3S2/c22-15(10-26-17-19-16(20-21-17)14-3-1-8-25-14)18-11-4-5-12-13(9-11)24-7-2-6-23-12/h1,3-5,8-9H,2,6-7,10H2,(H,18,22)(H,19,20,21)