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

Systemtic Name: 1-[6-bromanyl-2-methyl-1-(4-methylphenyl)-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]indol-3-yl]ethanone Openeye Name: 1-[6-bromo-2-methyl-5-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-(p-tolyl)indol-3-yl]ethanone CAS Name: 1-[6-bromo-2-methyl-1-(4-methylphenyl)-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-3-indolyl]ethanone IUPAC Name: 1-[6-bromo-2-methyl-1-(4-methylphenyl)-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]indol-3-yl]ethanone Traditional Name: 1-[6-bromo-2-methyl-5-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-1-(p-tolyl)indol-3-yl]ethanone Formula: C27H23BrN4O2S MolecularWeight: 547.46612

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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)N4C5=CC=CC=C5)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=CC(=C(C=C32)Br)OCC4=NNC(=S)N4C5=CC=CC=C5)C(=O)C)C

InChI

InChI=1S/C27H23BrN4O2S/c1-16-9-11-20(12-10-16)31-17(2)26(18(3)33)21-13-24(22(28)14-23(21)31)34-15-25-29-30-27(35)32(25)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,30,35)