4-phenylsulfanyl-3-(3,4,5-trimethoxyphenyl)isoquinoline

Systemtic Name: 4-phenylsulfanyl-3-(3,4,5-trimethoxyphenyl)isoquinoline Openeye Name: 4-phenylsulfanyl-3-(3,4,5-trimethoxyphenyl)isoquinoline CAS Name: 4-(phenylthio)-3-(3,4,5-trimethoxyphenyl)isoquinoline IUPAC Name: 4-phenylsulfanyl-3-(3,4,5-trimethoxyphenyl)isoquinoline Traditional Name: 4-(phenylthio)-3-(3,4,5-trimethoxyphenyl)isoquinoline Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C3=CC=CC=C3C=N2)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C3=CC=CC=C3C=N2)SC4=CC=CC=C4

InChI

InChI=1S/C24H21NO3S/c1-26-20-13-17(14-21(27-2)23(20)28-3)22-24(29-18-10-5-4-6-11-18)19-12-8-7-9-16(19)15-25-22/h4-15H,1-3H3