2-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[3-(2,3-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[3-(2,3-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[3-(2,3-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[[3-(2,3-dimethylphenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]ethyl-diethyl-ammonium Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3C)C)NC4=CC=CC=C42

Isomeric SMILES

CC[NH+](CC)CCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3C)C)NC4=CC=CC=C42

InChI

InChI=1S/C24H28N4OS/c1-5-27(6-2)14-15-30-24-26-21-18-11-7-8-12-19(18)25-22(21)23(29)28(24)20-13-9-10-16(3)17(20)4/h7-13,25H,5-6,14-15H2,1-4H3/p+1