2,2-diethyl-1-(3-methyl-7-phenylsulfanyl-indol-1-yl)butan-1-one

Systemtic Name: 2,2-diethyl-1-(3-methyl-7-phenylsulfanyl-indol-1-yl)butan-1-one Openeye Name: 2,2-diethyl-1-(3-methyl-7-phenylsulfanyl-indol-1-yl)butan-1-one CAS Name: 2,2-diethyl-1-[3-methyl-7-(phenylthio)-1-indolyl]-1-butanone IUPAC Name: 2,2-diethyl-1-(3-methyl-7-phenylsulfanylindol-1-yl)butan-1-one Traditional Name: 2,2-diethyl-1-[3-methyl-7-(phenylthio)indol-1-yl]butan-1-one Formula: C23H27NOS MolecularWeight: 365.53158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC)C(=O)N1C=C(C2=C1C(=CC=C2)SC3=CC=CC=C3)C

Isomeric SMILES

CCC(CC)(CC)C(=O)N1C=C(C2=C1C(=CC=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C23H27NOS/c1-5-23(6-2,7-3)22(25)24-16-17(4)19-14-11-15-20(21(19)24)26-18-12-9-8-10-13-18/h8-16H,5-7H2,1-4H3