N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-(3-pyridyl)isoxazole-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-(3-pyridinyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-(3-pyridyl)isoxazole-3-carboxamide Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=NOC(=C2)C3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=NOC(=C2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C19H16N4O2S/c20-11-14-4-1-2-5-16(14)13-26-9-8-22-19(24)17-10-18(25-23-17)15-6-3-7-21-12-15/h1-7,10,12H,8-9,13H2,(H,22,24)