N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[5-(3-isopropylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[5-[3-(propan-2-ylthio)phenyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[5-[3-(isopropylthio)phenyl]-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)SC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H19N3O4S/c1-12(2)28-15-5-3-4-14(10-15)19-22-23-20(27-19)21-18(24)13-6-7-16-17(11-13)26-9-8-25-16/h3-7,10-12H,8-9H2,1-2H3,(H,21,23,24)