1-ethyl-2-methyl-N'-[[9-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]benzimidazole-5-carbohydrazide

Systemtic Name: 1-ethyl-2-methyl-N'-[[9-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]benzimidazole-5-carbohydrazide Openeye Name: N'-[(2-benzylsulfanyl-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]-1-ethyl-2-methyl-benzimidazole-5-carbohydrazide CAS Name: 1-ethyl-2-methyl-N'-[[9-methyl-4-oxo-2-(phenylmethylthio)-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methyl]-5-benzimidazolecarbohydrazide IUPAC Name: N'-[(2-benzylsulfanyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide Traditional Name: N'-[[2-(benzylthio)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]-1-ethyl-2-methyl-benzimidazole-5-carbohydrazide Formula: C28H27N6O2S+ MolecularWeight: 511.61798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC=C3C(=NC4=C(C=CC=[N+]4C3=O)C)SCC5=CC=CC=C5)C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC=C3C(=NC4=C(C=CC=[N+]4C3=O)C)SCC5=CC=CC=C5)C

InChI

InChI=1S/C28H26N6O2S/c1-4-33-19(3)30-23-15-21(12-13-24(23)33)26(35)32-29-16-22-27(37-17-20-10-6-5-7-11-20)31-25-18(2)9-8-14-34(25)28(22)36/h5-16H,4,17H2,1-3H3,(H,32,35)/p+1