N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[5-[(4-isopropylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-9H-xanthene-9-carboxamide CAS Name: N-[5-[[4-(propan-2-ylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[5-[4-(isopropylthio)benzyl]-1,3,4-oxadiazol-2-yl]-9H-xanthene-9-carboxamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H23N3O3S/c1-16(2)33-18-13-11-17(12-14-18)15-23-28-29-26(32-23)27-25(30)24-19-7-3-5-9-21(19)31-22-10-6-4-8-20(22)24/h3-14,16,24H,15H2,1-2H3,(H,27,29,30)