1-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[(2,5-dimethylphenyl)methylthio]-3-ethyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[(2,5-dimethylbenzyl)thio]-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H21N3S MolecularWeight: 371.49794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=C(C=CC(=C4)C)C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=C(C=CC(=C4)C)C)C#N

InChI

InChI=1S/C23H21N3S/c1-4-17-12-22(27-14-18-11-15(2)9-10-16(18)3)26-21-8-6-5-7-20(21)25-23(26)19(17)13-24/h5-12H,4,14H2,1-3H3