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

Systemtic Name: 4-phenylsulfanyl-1-propyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Openeye Name: 4-phenylsulfanyl-1-propyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde CAS Name: 4-(phenylthio)-1-propyl-3,4-dihydro-1H-isoquinoline-2-carboxaldehyde IUPAC Name: 4-phenylsulfanyl-1-propyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Traditional Name: 4-(phenylthio)-1-propyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2C(CN1C=O)SC3=CC=CC=C3

Isomeric SMILES

CCCC1C2=CC=CC=C2C(CN1C=O)SC3=CC=CC=C3

InChI

InChI=1S/C19H21NOS/c1-2-8-18-16-11-6-7-12-17(16)19(13-20(18)14-21)22-15-9-4-3-5-10-15/h3-7,9-12,14,18-19H,2,8,13H2,1H3