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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4S/c1-2-26-19(14-6-4-3-5-7-14)24-25-21(26)31-13-18(27)23-20(28)22-15-8-9-16-17(12-15)30-11-10-29-16/h3-9,12H,2,10-11,13H2,1H3,(H2,22,23,27,28)