6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-3-(4-methylsulfanylphenoxy)pyridine-2-carbonitrile

Systemtic Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-3-(4-methylsulfanylphenoxy)pyridine-2-carbonitrile Openeye Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(4-methylsulfanylphenoxy)pyridine-2-carbonitrile CAS Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)-oxomethyl]-3-[4-(methylthio)phenoxy]-2-pyridinecarbonitrile IUPAC Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(4-methylsulfanylphenoxy)pyridine-2-carbonitrile Traditional Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-[4-(methylthio)phenoxy]picolinonitrile Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2=C(N=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)OC2=C(N=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)C#N

InChI

InChI=1S/C22H24N4O2S/c1-29-18-7-5-17(6-8-18)28-21-10-9-19(24-20(21)15-23)22(27)26-12-2-11-25(13-14-26)16-3-4-16/h5-10,16H,2-4,11-14H2,1H3