N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21N5O4S/c1-2-3-4-7-22-10-18-21-17(22)27-9-15(23)20-16(24)19-12-5-6-13-14(8-12)26-11-25-13/h5-6,8,10H,2-4,7,9,11H2,1H3,(H2,19,20,23,24)