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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O4S/c1-14-17(9-10-28-14)21-24-25-22(26(21)16-5-3-2-4-6-16)31-12-20(27)23-15-7-8-18-19(11-15)30-13-29-18/h2-11H,12-13H2,1H3,(H,23,27)