1-[6-bromanyl-2-methyl-1-(4-methylphenyl)-5-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]indol-3-yl]ethanone

Systemtic Name: 1-[6-bromanyl-2-methyl-1-(4-methylphenyl)-5-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]indol-3-yl]ethanone Openeye Name: 1-[6-bromo-2-methyl-1-(p-tolyl)-5-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methoxy]indol-3-yl]ethanone CAS Name: 1-[6-bromo-2-methyl-1-(4-methylphenyl)-5-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]-3-indolyl]ethanone IUPAC Name: 1-[6-bromo-2-methyl-1-(4-methylphenyl)-5-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]indol-3-yl]ethanone Traditional Name: 1-[6-bromo-2-methyl-1-(p-tolyl)-5-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methoxy]indol-3-yl]ethanone Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=CC(=C(C=C32)Br)OCC4=NNC(=S)O4)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=CC(=C(C=C32)Br)OCC4=NNC(=S)O4)C(=O)C)C

InChI

InChI=1S/C21H18BrN3O3S/c1-11-4-6-14(7-5-11)25-12(2)20(13(3)26)15-8-18(16(22)9-17(15)25)27-10-19-23-24-21(29)28-19/h4-9H,10H2,1-3H3,(H,24,29)