6-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]-2-(methylthio)nicotinonitrile Formula: C20H25N5S MolecularWeight: 367.511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

InChI

InChI=1S/C20H25N5S/c1-16-5-3-6-18(22-16)14-24-9-4-10-25(12-11-24)15-19-8-7-17(13-21)20(23-19)26-2/h3,5-8H,4,9-12,14-15H2,1-2H3