N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4)OCO2

InChI

InChI=1S/C21H20N4O5S/c1-13(26)15-9-17-18(30-12-29-17)10-16(15)22-19(27)11-31-21-24-23-20(28)25(21)8-7-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,22,27)(H,23,28)