2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]sulfanyl-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]thio]-3-(4-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl]thio]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C26H25N4O2S+ MolecularWeight: 457.5673

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)SC3=[N+](C(=O)C4=CC=CC=C4N3)C5=NC=CC(=C5)C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)SC3=[N+](C(=O)C4=CC=CC=C4N3)C5=NC=CC(=C5)C

InChI

InChI=1S/C26H24N4O2S/c1-16-12-13-27-23(14-16)30-25(32)20-9-5-6-10-21(20)28-26(30)33-18(3)24(31)29-17(2)15-19-8-4-7-11-22(19)29/h4-14,17-18H,15H2,1-3H3/p+1/t17-,18-/m0/s1