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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N5O5S/c1-2-3-6-21-15(24)19-20-16(21)27-8-13(22)18-14(23)17-10-4-5-11-12(7-10)26-9-25-11/h4-5,7H,2-3,6,8-9H2,1H3,(H,19,24)(H2,17,18,22,23)