1-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[(4-tert-butylphenyl)methylthio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(4-tert-butylphenyl)methylsulfanyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[(4-tert-butylbenzyl)thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H23N3S MolecularWeight: 385.52452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=C(C=C4)C(C)(C)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=C(C=C4)C(C)(C)C)C#N

InChI

InChI=1S/C24H23N3S/c1-16-13-22(28-15-17-9-11-18(12-10-17)24(2,3)4)27-21-8-6-5-7-20(21)26-23(27)19(16)14-25/h5-13H,15H2,1-4H3