N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H15N5O4S2 MolecularWeight: 417.4621

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C17H15N5O4S2/c23-14(9-28-17-20-15(21-22-17)13-2-1-7-27-13)19-16(24)18-10-3-4-11-12(8-10)26-6-5-25-11/h1-4,7-8H,5-6,9H2,(H,20,21,22)(H2,18,19,23,24)