1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C45CC6CC(C4)CC(C6)C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C45CC6CC(C4)CC(C6)C5)C#N

InChI

InChI=1S/C25H25N3OS/c1-15-6-23(28-21-5-3-2-4-20(21)27-24(28)19(15)13-26)30-14-22(29)25-10-16-7-17(11-25)9-18(8-16)12-25/h2-6,16-18H,7-12,14H2,1H3