[2-(bromomethyl)-3-phenylsulfanyl-indol-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [2-(bromomethyl)-3-phenylsulfanyl-indol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [2-(bromomethyl)-3-phenylsulfanyl-indol-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [2-(bromomethyl)-3-(phenylthio)-1-indolyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [2-(bromomethyl)-3-phenylsulfanylindol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [2-(bromomethyl)-3-(phenylthio)indol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C25H22BrNO4S MolecularWeight: 512.41548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=CC=CC=C3C(=C2CBr)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=CC=CC=C3C(=C2CBr)SC4=CC=CC=C4

InChI

InChI=1S/C25H22BrNO4S/c1-29-21-13-16(14-22(30-2)23(21)31-3)25(28)27-19-12-8-7-11-18(19)24(20(27)15-26)32-17-9-5-4-6-10-17/h4-14H,15H2,1-3H3