1-cyclobutyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

Systemtic Name: 1-cyclobutyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Openeye Name: 1-cyclobutyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde CAS Name: 1-cyclobutyl-4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carboxaldehyde IUPAC Name: 1-cyclobutyl-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Traditional Name: 1-cyclobutyl-4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Formula: C20H21NOS MolecularWeight: 323.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2C3=CC=CC=C3C(CN2C=O)SC4=CC=CC=C4

Isomeric SMILES

C1CC(C1)C2C3=CC=CC=C3C(CN2C=O)SC4=CC=CC=C4

InChI

InChI=1S/C20H21NOS/c22-14-21-13-19(23-16-9-2-1-3-10-16)17-11-4-5-12-18(17)20(21)15-7-6-8-15/h1-5,9-12,14-15,19-20H,6-8,13H2