[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridyl]methanone Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-17-15-18(24-28-17)16-25-11-6-12-26(14-13-25)22(27)20-9-5-10-23-21(20)29-19-7-3-2-4-8-19/h2-5,7-10,15H,6,11-14,16H2,1H3