2,3-dimethyl-7-phenethyl-6-phenethylsulfanyl-pyrrolo[2,3-b]pyridine hydrochloride

Systemtic Name: 2,3-dimethyl-7-phenethyl-6-phenethylsulfanyl-pyrrolo[2,3-b]pyridine hydrochloride Openeye Name: 2,3-dimethyl-7-phenethyl-6-phenethylsulfanyl-pyrrolo[2,3-b]pyridine hydrochloride CAS Name: 2,3-dimethyl-7-phenethyl-6-(phenethylthio)pyrrolo[2,3-b]pyridine hydrochloride IUPAC Name: 2,3-dimethyl-7-phenethyl-6-phenethylsulfanylpyrrolo[2,3-b]pyridine hydrochloride Traditional Name: 2,3-dimethyl-7-phenethyl-6-(phenethylthio)pyrrolo[2,3-b]pyridine hydrochloride Formula: C25H27ClN2S MolecularWeight: 423.01328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C1=CC=C(N2CCC3=CC=CC=C3)SCCC4=CC=CC=C4)C.Cl

Isomeric SMILES

CC1=C(N=C2C1=CC=C(N2CCC3=CC=CC=C3)SCCC4=CC=CC=C4)C.Cl

InChI

InChI=1S/C25H26N2S.ClH/c1-19-20(2)26-25-23(19)13-14-24(28-18-16-22-11-7-4-8-12-22)27(25)17-15-21-9-5-3-6-10-21;/h3-14H,15-18H2,1-2H3;1H