[5-azanyl-3-(pyridin-3-ylmethylsulfanyl)-1,2-oxazol-4-yl]-(3-chlorophenyl)methanone

Systemtic Name: [5-azanyl-3-(pyridin-3-ylmethylsulfanyl)-1,2-oxazol-4-yl]-(3-chlorophenyl)methanone Openeye Name: [5-amino-3-(3-pyridylmethylsulfanyl)isoxazol-4-yl]-(3-chlorophenyl)methanone CAS Name: [5-amino-3-(3-pyridinylmethylthio)-4-isoxazolyl]-(3-chlorophenyl)methanone IUPAC Name: [5-amino-3-(pyridin-3-ylmethylsulfanyl)-1,2-oxazol-4-yl]-(3-chlorophenyl)methanone Traditional Name: [5-amino-3-(3-pyridylmethylthio)isoxazol-4-yl]-(3-chlorophenyl)methanone Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)C2=C(ON=C2SCC3=CN=CC=C3)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)C2=C(ON=C2SCC3=CN=CC=C3)N

InChI

InChI=1S/C16H12ClN3O2S/c17-12-5-1-4-11(7-12)14(21)13-15(18)22-20-16(13)23-9-10-3-2-6-19-8-10/h1-8H,9,18H2