3-methyl-1-pentylsulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-pentylsulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-pentylsulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-(pentylthio)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-pentylsulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(amylthio)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C

Isomeric SMILES

CCCCCSC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C

InChI

InChI=1S/C18H19N3S/c1-3-4-7-10-22-17-11-13(2)14(12-19)18-20-15-8-5-6-9-16(15)21(17)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3