6-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-(methylthio)nicotinonitrile Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

InChI

InChI=1S/C19H25N5OS/c1-14-18(15(2)25-22-14)13-24-8-4-7-23(9-10-24)12-17-6-5-16(11-20)19(21-17)26-3/h5-6H,4,7-10,12-13H2,1-3H3