3-[5-(phenylmethylsulfanyl)-1H-indol-3-yl]butan-2-amine

Systemtic Name: 3-[5-(phenylmethylsulfanyl)-1H-indol-3-yl]butan-2-amine Openeye Name: 3-(5-benzylsulfanyl-1H-indol-3-yl)butan-2-amine CAS Name: 3-[5-(phenylmethylthio)-1H-indol-3-yl]-2-butanamine IUPAC Name: 3-(5-benzylsulfanyl-1H-indol-3-yl)butan-2-amine Traditional Name: [2-[5-(benzylthio)-1H-indol-3-yl]-1-methyl-propyl]amine Formula: C19H22N2S MolecularWeight: 310.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=C1C=C(C=C2)SCC3=CC=CC=C3)C(C)N

Isomeric SMILES

CC(C1=CNC2=C1C=C(C=C2)SCC3=CC=CC=C3)C(C)N

InChI

InChI=1S/C19H22N2S/c1-13(14(2)20)18-11-21-19-9-8-16(10-17(18)19)22-12-15-6-4-3-5-7-15/h3-11,13-14,21H,12,20H2,1-2H3