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

Systemtic Name: 6-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-(methylthio)nicotinonitrile Formula: C18H24N6S MolecularWeight: 356.48836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

InChI

InChI=1S/C18H24N6S/c1-22-9-6-20-17(22)14-24-8-3-7-23(10-11-24)13-16-5-4-15(12-19)18(21-16)25-2/h4-6,9H,3,7-8,10-11,13-14H2,1-2H3