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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-yl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-yl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-yl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-yl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(1,3-benzodioxol-5-yl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=NN=C(N1C2=CC3=C(C=C2)OCO3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCCC1=NN=C(N1C2=CC3=C(C=C2)OCO3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S/c1-15(27)23-11-5-8-21-24-25-22(31-13-18(28)16-6-3-2-4-7-16)26(21)17-9-10-19-20(12-17)30-14-29-19/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H,23,27)