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

Systemtic Name: 2-methylsulfanyl-6-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 2-methylsulfanyl-6-[[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 2-(methylthio)-6-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-methylsulfanyl-6-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 2-(methylthio)-6-[[4-(4-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=CC=NC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5S/c1-25-19-17(13-20)3-4-18(22-19)15-24-10-2-9-23(11-12-24)14-16-5-7-21-8-6-16/h3-8H,2,9-12,14-15H2,1H3