5-butyl-2-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde

Systemtic Name: 5-butyl-2-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde Openeye Name: 5-butyl-2-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde CAS Name: 5-butyl-2-[4-(methylthio)phenyl]-1H-indole-3-carboxaldehyde IUPAC Name: 5-butyl-2-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde Traditional Name: 5-butyl-2-[4-(methylthio)phenyl]-1H-indole-3-carbaldehyde Formula: C20H21NOS MolecularWeight: 323.45184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2C=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2C=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21NOS/c1-3-4-5-14-6-11-19-17(12-14)18(13-22)20(21-19)15-7-9-16(23-2)10-8-15/h6-13,21H,3-5H2,1-2H3