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

Systemtic Name: 2-methylsulfanyl-6-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 2-methylsulfanyl-6-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 2-(methylthio)-6-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-methylsulfanyl-6-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 2-(methylthio)-6-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]nicotinonitrile Formula: C19H23N5S MolecularWeight: 353.48442

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=CN=CC=C3)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=CN=CC=C3)C#N

InChI

InChI=1S/C19H23N5S/c1-25-19-17(12-20)5-6-18(22-19)15-24-9-3-8-23(10-11-24)14-16-4-2-7-21-13-16/h2,4-7,13H,3,8-11,14-15H2,1H3