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

Systemtic Name: 3-methyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(4-isopropylphenyl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[(4-propan-2-ylphenyl)methylthio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[(4-isopropylbenzyl)thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H21N3S MolecularWeight: 371.49794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3S/c1-15(2)18-10-8-17(9-11-18)14-27-22-12-16(3)19(13-24)23-25-20-6-4-5-7-21(20)26(22)23/h4-12,15H,14H2,1-3H3