6,7-dimethoxy-1-phenyl-1-(phenylsulfanylmethyl)-3,4-dihydroisoquinoline-2-carbaldehyde

Systemtic Name: 6,7-dimethoxy-1-phenyl-1-(phenylsulfanylmethyl)-3,4-dihydroisoquinoline-2-carbaldehyde Openeye Name: 6,7-dimethoxy-1-phenyl-1-(phenylsulfanylmethyl)-3,4-dihydroisoquinoline-2-carbaldehyde CAS Name: 6,7-dimethoxy-1-phenyl-1-[(phenylthio)methyl]-3,4-dihydroisoquinoline-2-carboxaldehyde IUPAC Name: 6,7-dimethoxy-1-phenyl-1-(phenylsulfanylmethyl)-3,4-dihydroisoquinoline-2-carbaldehyde Traditional Name: 6,7-dimethoxy-1-phenyl-1-[(phenylthio)methyl]-3,4-dihydroisoquinoline-2-carbaldehyde Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2(CSC3=CC=CC=C3)C4=CC=CC=C4)C=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2(CSC3=CC=CC=C3)C4=CC=CC=C4)C=O)OC

InChI

InChI=1S/C25H25NO3S/c1-28-23-15-19-13-14-26(18-27)25(20-9-5-3-6-10-20,22(19)16-24(23)29-2)17-30-21-11-7-4-8-12-21/h3-12,15-16,18H,13-14,17H2,1-2H3