3-methyl-1-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H17N5OS MolecularWeight: 411.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C)C4=NC(=O)C5=CC=CC=C5N4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@@H](C)C4=NC(=O)C5=CC=CC=C5N4)C#N

InChI

InChI=1S/C23H17N5OS/c1-13-11-20(28-19-10-6-5-9-18(19)26-22(28)16(13)12-24)30-14(2)21-25-17-8-4-3-7-15(17)23(29)27-21/h3-11,14H,1-2H3,(H,25,27,29)/t14-/m0/s1