1-[(2S)-butan-2-yl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(2S)-butan-2-yl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[(1S)-1-methylpropyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[(2S)-butan-2-yl]thio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(2S)-butan-2-yl]sulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-[[(1S)-1-methylpropyl]thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C

Isomeric SMILES

CC[C@H](C)SC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C

InChI

InChI=1S/C17H17N3S/c1-4-12(3)21-16-9-11(2)13(10-18)17-19-14-7-5-6-8-15(14)20(16)17/h5-9,12H,4H2,1-3H3/t12-/m0/s1