3-ethyl-1-(3-phenylpropylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-ethyl-1-(3-phenylpropylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-(3-phenylpropylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-(3-phenylpropylthio)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-(3-phenylpropylsulfanyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-(3-phenylpropylthio)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H21N3S MolecularWeight: 371.49794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCCC4=CC=CC=C4)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H21N3S/c1-2-18-15-22(27-14-8-11-17-9-4-3-5-10-17)26-21-13-7-6-12-20(21)25-23(26)19(18)16-24/h3-7,9-10,12-13,15H,2,8,11,14H2,1H3