2-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thio]-3-(5-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl]thio]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C26H23N4O2S+ MolecularWeight: 455.55142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=[N+](C(=O)C4=CC=CC=C4N3)C5=NC=C(C=C5)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=[N+](C(=O)C4=CC=CC=C4N3)C5=NC=C(C=C5)C

InChI

InChI=1S/C26H22N4O2S/c1-3-17-7-6-9-18-20(14-28-24(17)18)22(31)15-33-26-29-21-10-5-4-8-19(21)25(32)30(26)23-12-11-16(2)13-27-23/h4-14H,3,15H2,1-2H3,(H,28,31)/p+1