N-[2-[4-(1,3-benzodioxol-5-yl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-yl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-yl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-yl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-yl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(1,3-benzodioxol-5-yl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=NN=C(N1C2=CC3=C(C=C2)OCO3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCC1=NN=C(N1C2=CC3=C(C=C2)OCO3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4S/c1-14(26)22-10-9-20-23-24-21(30-12-17(27)15-5-3-2-4-6-15)25(20)16-7-8-18-19(11-16)29-13-28-18/h2-8,11H,9-10,12-13H2,1H3,(H,22,26)