3-(3-bromophenyl)-1-ethylsulfanyl-3-methyl-4H-isoquinoline

Systemtic Name: 3-(3-bromophenyl)-1-ethylsulfanyl-3-methyl-4H-isoquinoline Openeye Name: 3-(3-bromophenyl)-1-ethylsulfanyl-3-methyl-4H-isoquinoline CAS Name: 3-(3-bromophenyl)-1-(ethylthio)-3-methyl-4H-isoquinoline IUPAC Name: 3-(3-bromophenyl)-1-ethylsulfanyl-3-methyl-4H-isoquinoline Traditional Name: 3-(3-bromophenyl)-1-(ethylthio)-3-methyl-4H-isoquinoline Formula: C18H18BrNS MolecularWeight: 360.31122

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(CC2=CC=CC=C21)(C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCSC1=NC(CC2=CC=CC=C21)(C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrNS/c1-3-21-17-16-10-5-4-7-13(16)12-18(2,20-17)14-8-6-9-15(19)11-14/h4-11H,3,12H2,1-2H3