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

Systemtic Name: 6-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[4-(2-furylmethyl)-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[4-(2-furfuryl)-1,4-diazepan-1-yl]methyl]-2-(methylthio)nicotinonitrile Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=CC=CO3)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=CC=CO3)C#N

InChI

InChI=1S/C18H22N4OS/c1-24-18-15(12-19)5-6-16(20-18)13-21-7-3-8-22(10-9-21)14-17-4-2-11-23-17/h2,4-6,11H,3,7-10,13-14H2,1H3