1-(8-methoxynaphthalen-1-yl)-3-(phenylmethylsulfanyl)isoquinoline

Systemtic Name: 1-(8-methoxynaphthalen-1-yl)-3-(phenylmethylsulfanyl)isoquinoline Openeye Name: 3-benzylsulfanyl-1-(8-methoxy-1-naphthyl)isoquinoline CAS Name: 1-(8-methoxy-1-naphthalenyl)-3-(phenylmethylthio)isoquinoline IUPAC Name: 3-benzylsulfanyl-1-(8-methoxynaphthalen-1-yl)isoquinoline Traditional Name: 3-(benzylthio)-1-(8-methoxy-1-naphthyl)isoquinoline Formula: C27H21NOS MolecularWeight: 407.52674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CC=C2)C3=NC(=CC4=CC=CC=C43)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1C(=CC=C2)C3=NC(=CC4=CC=CC=C43)SCC5=CC=CC=C5

InChI

InChI=1S/C27H21NOS/c1-29-24-16-8-13-20-12-7-15-23(26(20)24)27-22-14-6-5-11-21(22)17-25(28-27)30-18-19-9-3-2-4-10-19/h2-17H,18H2,1H3